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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Imidazoles (1,648)
Thiazoles (686)
Pyrazoles (585)
Triazoles (224)
Isoxazoles (212)
Oxazoles (115)
Thiadiazoles (85)
Oxadiazoles (62)
Dithiazoles (8)

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1

Thermo Scientific Chemicals Thiazolyl Blue tetrazolium bromide, 98%

CAS: 298-93-1 Formula molecolare: C18H16BrN5S Molecular Weight (g/mol): 414.33 Numero MDL: MFCD00011964,MFCD00066662 InChI Key: AZKSAVLVSZKNRD-UHFFFAOYSA-M Sinonimo: thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i PubChem CID: 64965 ChEBI: CHEBI:53233 IUPAC Name: 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromide SMILES: [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1

EDGE
Sinonimo thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i
Numero MDL MFCD00011964,MFCD00066662
PubChem CID 64965
Formula molecolare C18H16BrN5S
CAS 298-93-1
Molecular Weight (g/mol) 414.33
ChEBI CHEBI:53233
SMILES [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromide
InChI Key AZKSAVLVSZKNRD-UHFFFAOYSA-M
2

Thiazolyl blue tetrazolium bromide, 98%

CAS: 298-93-1 Formula molecolare: C18H16BrN5S Molecular Weight (g/mol): 414.33 Numero MDL: MFCD00011964,MFCD00066662 InChI Key: AZKSAVLVSZKNRD-UHFFFAOYSA-M Sinonimo: thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i PubChem CID: 64965 ChEBI: CHEBI:53233 SMILES: [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1

EDGE
Sinonimo thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i
Numero MDL MFCD00011964,MFCD00066662
PubChem CID 64965
Formula molecolare C18H16BrN5S
CAS 298-93-1
Molecular Weight (g/mol) 414.33
ChEBI CHEBI:53233
SMILES [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1
InChI Key AZKSAVLVSZKNRD-UHFFFAOYSA-M
3

1,2,4-Triazole, 99%

CAS: 288-88-0 Formula molecolare: C2H3N3 Molecular Weight (g/mol): 69.067 Numero MDL: MFCD00005228 InChI Key: NSPMIYGKQJPBQR-UHFFFAOYSA-N Sinonimo: 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van PubChem CID: 9257 ChEBI: CHEBI:35550 IUPAC Name: 1H-1,2,4-triazole SMILES: C1=NC=NN1

EDGE
Sinonimo 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van
Numero MDL MFCD00005228
PubChem CID 9257
Formula molecolare C2H3N3
CAS 288-88-0
Molecular Weight (g/mol) 69.067
ChEBI CHEBI:35550
SMILES C1=NC=NN1
IUPAC Name 1H-1,2,4-triazole
InChI Key NSPMIYGKQJPBQR-UHFFFAOYSA-N
4

1-Butyl-3-methylimidazolium hexafluorophosphate, 98+%

CAS: 174501-64-5 Formula molecolare: C8H15F6N2P Molecular Weight (g/mol): 284.19 Numero MDL: MFCD03093295 InChI Key: IXQYBUDWDLYNMA-UHFFFAOYSA-N Sinonimo: 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate PubChem CID: 2734174 SMILES: F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1

EDGE
Sinonimo 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate
Numero MDL MFCD03093295
PubChem CID 2734174
Formula molecolare C8H15F6N2P
CAS 174501-64-5
Molecular Weight (g/mol) 284.19
SMILES F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1
InChI Key IXQYBUDWDLYNMA-UHFFFAOYSA-N
5

1,1'-Carbonyldiimidazole, 97%

CAS: 530-62-1 Formula molecolare: C7H6N4O Molecular Weight (g/mol): 162.15 Numero MDL: MFCD00005286 InChI Key: PFKFTWBEEFSNDU-UHFFFAOYSA-N Sinonimo: 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole PubChem CID: 68263 IUPAC Name: di(imidazol-1-yl)methanone SMILES: O=C(N1C=CN=C1)N1C=CN=C1

Sinonimo 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole
Numero MDL MFCD00005286
PubChem CID 68263
Formula molecolare C7H6N4O
CAS 530-62-1
Molecular Weight (g/mol) 162.15
SMILES O=C(N1C=CN=C1)N1C=CN=C1
IUPAC Name di(imidazol-1-yl)methanone
InChI Key PFKFTWBEEFSNDU-UHFFFAOYSA-N
6

1,1'-Carbonyldiimidazole, 97%

CAS: 530-62-1 Formula molecolare: C7H6N4O Molecular Weight (g/mol): 162.15 Numero MDL: MFCD00005286 InChI Key: PFKFTWBEEFSNDU-UHFFFAOYSA-N Sinonimo: 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole PubChem CID: 68263 SMILES: O=C(N1C=CN=C1)N1C=CN=C1

Sinonimo 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole
Numero MDL MFCD00005286
PubChem CID 68263
Formula molecolare C7H6N4O
CAS 530-62-1
Molecular Weight (g/mol) 162.15
SMILES O=C(N1C=CN=C1)N1C=CN=C1
InChI Key PFKFTWBEEFSNDU-UHFFFAOYSA-N
7

Raltegravir potassium salt

CAS: 871038-72-1 Formula molecolare: C20H20FKN6O5 Molecular Weight (g/mol): 482.51 InChI Key: IFUKBHBISRAZTF-UHFFFAOYSA-M Sinonimo: raltegravir potassium,raltegravir potassium salt,raltegravirpotassiumsalt,raltegravir mk-0518,potassium 4-4-fluorobenzyl carbamoyl-1-methyl-2-2-5-methyl-1,3,4-oxadiazole-2-carboxamido propan-2-yl-6-oxo-1,6-dihydropyrimidin-5-olate,isentress tn,raltegravir potassium usan:jan,pubchem22484,n-1-4-4-fluorophenyl methylcarbamoyl-5-hydroxy-1-methyl-6-oxo-pyrimidin-2-yl-1-methyl-ethyl-5-methyl-1,3,4-oxadiazole-2-carboxamide PubChem CID: 23668479 IUPAC Name: potassium;4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-2-[2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl]-6-oxopyrimidin-5-olate SMILES: CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.[K+]

Sinonimo raltegravir potassium,raltegravir potassium salt,raltegravirpotassiumsalt,raltegravir mk-0518,potassium 4-4-fluorobenzyl carbamoyl-1-methyl-2-2-5-methyl-1,3,4-oxadiazole-2-carboxamido propan-2-yl-6-oxo-1,6-dihydropyrimidin-5-olate,isentress tn,raltegravir potassium usan:jan,pubchem22484,n-1-4-4-fluorophenyl methylcarbamoyl-5-hydroxy-1-methyl-6-oxo-pyrimidin-2-yl-1-methyl-ethyl-5-methyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID 23668479
Formula molecolare C20H20FKN6O5
CAS 871038-72-1
Molecular Weight (g/mol) 482.51
SMILES CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.[K+]
IUPAC Name potassium;4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-2-[2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl]-6-oxopyrimidin-5-olate
InChI Key IFUKBHBISRAZTF-UHFFFAOYSA-M
8

1H-Benzotriazole, 99%

CAS: 95-14-7 Formula molecolare: C6H5N3 Molecular Weight (g/mol): 119.13 Numero MDL: MFCD00005699 InChI Key: QRUDEWIWKLJBPS-UHFFFAOYSA-N Sinonimo: 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole PubChem CID: 7220 ChEBI: CHEBI:75331 IUPAC Name: 2H-benzotriazole SMILES: C1=CC2=NNN=C2C=C1

Sinonimo 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole
Numero MDL MFCD00005699
PubChem CID 7220
Formula molecolare C6H5N3
CAS 95-14-7
Molecular Weight (g/mol) 119.13
ChEBI CHEBI:75331
SMILES C1=CC2=NNN=C2C=C1
IUPAC Name 2H-benzotriazole
InChI Key QRUDEWIWKLJBPS-UHFFFAOYSA-N
9

1-Vinylimidazole, 99%

CAS: 1072-63-5 Formula molecolare: C5H6N2 Molecular Weight (g/mol): 94.12 Numero MDL: MFCD00005297 InChI Key: OSSNTDFYBPYIEC-UHFFFAOYSA-N Sinonimo: 1-vinylimidazole,1-vinyl-1h-imidazole,n-vinylimidazole,1h-imidazole, 1-ethenyl,lufixan,polyvinylimidazole,poly vinylimidazole,poly n-vinylimidazole,poly 1-vinylimidazole,n-vinylimidazole polymer PubChem CID: 66171 SMILES: C=CN1C=CN=C1

Sinonimo 1-vinylimidazole,1-vinyl-1h-imidazole,n-vinylimidazole,1h-imidazole, 1-ethenyl,lufixan,polyvinylimidazole,poly vinylimidazole,poly n-vinylimidazole,poly 1-vinylimidazole,n-vinylimidazole polymer
Numero MDL MFCD00005297
PubChem CID 66171
Formula molecolare C5H6N2
CAS 1072-63-5
Molecular Weight (g/mol) 94.12
SMILES C=CN1C=CN=C1
InChI Key OSSNTDFYBPYIEC-UHFFFAOYSA-N
10

Ganciclovir, 98%, Thermo Scientific Chemicals

CAS: 82410-32-0 Formula molecolare: C9H13N5O4 Molecular Weight (g/mol): 255.23 InChI Key: IRSCQMHQWWYFCW-UHFFFAOYSA-N Sinonimo: ganciclovir,gancyclovir,cytovene,vitrasert,hydroxyacyclovir,ganciclovirum,zirgan,ganciclovir sodium,cymevene,hhemg PubChem CID: 3454 ChEBI: CHEBI:465284 IUPAC Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one SMILES: C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N

Sinonimo ganciclovir,gancyclovir,cytovene,vitrasert,hydroxyacyclovir,ganciclovirum,zirgan,ganciclovir sodium,cymevene,hhemg
PubChem CID 3454
Formula molecolare C9H13N5O4
CAS 82410-32-0
Molecular Weight (g/mol) 255.23
ChEBI CHEBI:465284
SMILES C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N
IUPAC Name 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one
InChI Key IRSCQMHQWWYFCW-UHFFFAOYSA-N
11

1-Methylimidazole, 99%

CAS: 616-47-7 Formula molecolare: C4H6N2 Molecular Weight (g/mol): 82.11 Numero MDL: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N Sinonimo: 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole PubChem CID: 1390 ChEBI: CHEBI:113454 SMILES: CN1C=CN=C1

Sinonimo 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole
Numero MDL MFCD00005292
PubChem CID 1390
Formula molecolare C4H6N2
CAS 616-47-7
Molecular Weight (g/mol) 82.11
ChEBI CHEBI:113454
SMILES CN1C=CN=C1
InChI Key MCTWTZJPVLRJOU-UHFFFAOYSA-N
12

1-Acetylimidazole, 98%, Thermo Scientific Chemicals

CAS: 2466-76-4 Formula molecolare: C5H6N2O Molecular Weight (g/mol): 110.12 Numero MDL: MFCD00005287 InChI Key: VIHYIVKEECZGOU-UHFFFAOYSA-N Sinonimo: 1-acetylimidazole,n-acetylimidazole,1-1h-imidazol-1-yl ethanone,1h-imidazole, 1-acetyl,acetylimidazole,1-acetyl-1h-imidazole,imidazole, 1-acetyl,3-acetylimidazole,unii-zmp8x1y11g,ccris 6534 PubChem CID: 17174 ChEBI: CHEBI:16984 IUPAC Name: 1-imidazol-1-ylethanone SMILES: CC(=O)N1C=CN=C1

Sinonimo 1-acetylimidazole,n-acetylimidazole,1-1h-imidazol-1-yl ethanone,1h-imidazole, 1-acetyl,acetylimidazole,1-acetyl-1h-imidazole,imidazole, 1-acetyl,3-acetylimidazole,unii-zmp8x1y11g,ccris 6534
Numero MDL MFCD00005287
PubChem CID 17174
Formula molecolare C5H6N2O
CAS 2466-76-4
Molecular Weight (g/mol) 110.12
ChEBI CHEBI:16984
SMILES CC(=O)N1C=CN=C1
IUPAC Name 1-imidazol-1-ylethanone
InChI Key VIHYIVKEECZGOU-UHFFFAOYSA-N
13

2-Aminobenzimidazole, 99+%

CAS: 934-32-7 Formula molecolare: C7H7N3 Molecular Weight (g/mol): 133.15 Numero MDL: MFCD00005596 InChI Key: JWYUFVNJZUSCSM-UHFFFAOYSA-N Sinonimo: 2-aminobenzimidazole,1h-benzo d imidazol-2-amine,2-iminobenzimidazoline,benzimidazole, 2-amino,benzimidazol-2-ylamine,2-amino benzimidazole,caswell no. 033aa,1h-1,3-benzodiazol-2-amine,usaf ek-4037,2-amino-1h-benzimidazole PubChem CID: 13624 ChEBI: CHEBI:27822 IUPAC Name: 1H-benzimidazol-2-amine SMILES: NC1=NC2=CC=CC=C2N1

Sinonimo 2-aminobenzimidazole,1h-benzo d imidazol-2-amine,2-iminobenzimidazoline,benzimidazole, 2-amino,benzimidazol-2-ylamine,2-amino benzimidazole,caswell no. 033aa,1h-1,3-benzodiazol-2-amine,usaf ek-4037,2-amino-1h-benzimidazole
Numero MDL MFCD00005596
PubChem CID 13624
Formula molecolare C7H7N3
CAS 934-32-7
Molecular Weight (g/mol) 133.15
ChEBI CHEBI:27822
SMILES NC1=NC2=CC=CC=C2N1
IUPAC Name 1H-benzimidazol-2-amine
InChI Key JWYUFVNJZUSCSM-UHFFFAOYSA-N
14

3-Amino-1H-1,2,4-triazole, 96%

CAS: 61-82-5 Formula molecolare: C2H4N4 Molecular Weight (g/mol): 84.08 Numero MDL: MFCD00005230,MFCD00053362 InChI Key: KLSJWNVTNUYHDU-UHFFFAOYSA-N Sinonimo: 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox PubChem CID: 1639 ChEBI: CHEBI:40036 IUPAC Name: 1H-1,2,4-triazol-5-amine SMILES: NC1=NC=NN1

Sinonimo 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox
Numero MDL MFCD00005230,MFCD00053362
PubChem CID 1639
Formula molecolare C2H4N4
CAS 61-82-5
Molecular Weight (g/mol) 84.08
ChEBI CHEBI:40036
SMILES NC1=NC=NN1
IUPAC Name 1H-1,2,4-triazol-5-amine
InChI Key KLSJWNVTNUYHDU-UHFFFAOYSA-N
15

1-n-Butyl-3-methylimidazolium bromide, 99%

CAS: 85100-77-2 Formula molecolare: C8H15BrN2 Molecular Weight (g/mol): 219.126 Numero MDL: MFCD03427611 InChI Key: KYCQOKLOSUBEJK-UHFFFAOYSA-M Sinonimo: 1-butyl-3-methylimidazolium bromide,3-butyl-1-methyl-1h-imidazol-3-ium bromide,bmimbr,1-n-butyl-3-methylimidazolium bromide,1-butyl-3-methyl-1h-imidazol-3-ium bromide,bmim br,c4mim bromide,ksc491c7d,1-butyl-3-methylimidazoliumbromide PubChem CID: 2734236 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;bromide SMILES: CCCCN1C=C[N+](=C1)C.[Br-]

Sinonimo 1-butyl-3-methylimidazolium bromide,3-butyl-1-methyl-1h-imidazol-3-ium bromide,bmimbr,1-n-butyl-3-methylimidazolium bromide,1-butyl-3-methyl-1h-imidazol-3-ium bromide,bmim br,c4mim bromide,ksc491c7d,1-butyl-3-methylimidazoliumbromide
Numero MDL MFCD03427611
PubChem CID 2734236
Formula molecolare C8H15BrN2
CAS 85100-77-2
Molecular Weight (g/mol) 219.126
SMILES CCCCN1C=C[N+](=C1)C.[Br-]
IUPAC Name 1-butyl-3-methylimidazol-3-ium;bromide
InChI Key KYCQOKLOSUBEJK-UHFFFAOYSA-M