Organoheterocyclic compounds
1-n-Butyl-3-methylimidazolium methyl sulfate, 99%
CAS: 401788-98-5 Molecular Formula: C9H18N2O4S Molecular Weight (g/mol): 250.31 MDL Number: MFCD03095437 InChI Key: MEMNKNZDROKJHP-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium methyl sulfate,1-butyl-3-methylimidazolium methylsulfate,bmimmeso4,1-n-butyl-3-methylimidazolium methylsulfate,1-butyl-3-methylimidazolium methyl sulfate 1-,acmc-20aowh,basionics™ lq 02,1-butyl-3-methylimidazolium methylsul-fate,1-butyl-3-methylimidazol-3-ium,methyl sulfate,1-butyl-3-methyl-imidazol-3-ium; methyl sulfate PubChem CID: 12095228 SMILES: COS([O-])(=O)=O.CCCCN1C=C[N+](C)=C1
2,4,5-Triphenylimidazole, 97%
CAS: 484-47-9 Molecular Formula: C21H16N2 Molecular Weight (g/mol): 296.373 MDL Number: MFCD00005187 InChI Key: RNIPJYFZGXJSDD-UHFFFAOYSA-N Synonym: 2,4,5-triphenylimidazole,lophine,lophin,1h-imidazole, 2,4,5-triphenyl,2,4,5-triphenyl-1,3-imidazole,unii-q6k46g80zd,imidazole, 2,4,5-triphenyl,chembl34173,2,5-triphenylimidazole,imidazole,4,5-triphenyl PubChem CID: 10232 IUPAC Name: 2,4,5-triphenyl-1H-imidazole SMILES: C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=CC=C3)C4=CC=CC=C4
2-Phenylimidazole, 98%
CAS: 670-96-2 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.18 MDL Number: MFCD00005186 InChI Key: ZCUJYXPAKHMBAZ-UHFFFAOYSA-N Synonym: 2-phenylimidazole,1h-imidazole, 2-phenyl,imidazole, 2-phenyl,2-phenyl imidazole,2-phenyl-1h-imidazol,unii-7r2590hm4l,chembl14189,phenyl imidazole,2-phenyl-imidazole,piy PubChem CID: 69591 IUPAC Name: 2-phenyl-1H-imidazole SMILES: N1C=CN=C1C1=CC=CC=C1
4-Methyl-5-imidazolecarboxaldehyde, 99%
CAS: 68282-53-1 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD00173728 InChI Key: KMWCSNCNHSEXIF-UHFFFAOYSA-N Synonym: 4-methyl-1h-imidazole-5-carbaldehyde,5-methylimidazole-4-carboxaldehyde,4-methylimidazole-5-carboxaldehyde,4-methyl-5-imidazolecarboxaldehyde,5-methyl-3h-imidazole-4-carbaldehyde,4-methylimidazole-5-carbaldehyde,1h-imidazole-4-carboxaldehyde, 5-methyl,1h-imidazole-5-carboxaldehyde, 4-methyl,pubchem23016,acmc-1b6zs PubChem CID: 2795887 IUPAC Name: 5-methyl-1H-imidazole-4-carbaldehyde SMILES: CC1=C(C=O)N=CN1
3-(1H-Imidazol-1-ylmethyl)benzoic acid hydrochloride, Tech., Thermo Scientific™
CAS: 218131-32-9 Molecular Formula: C11H11ClN2O2 Molecular Weight (g/mol): 238.671 MDL Number: MFCD08690248 InChI Key: YTCNDYWVEAFCMT-UHFFFAOYSA-N Synonym: 3-1h-imidazol-1-ylmethyl benzoic acid hydrochloride,3-imidazol-1-ylmethyl-benzoic acid hydrochloride,3-imidazol-1-ylmethyl benzoic acid hydrochloride,3-imidazolylmethyl benzoic acid, chloride,3-1h-imidazol-1-yl methyl benzoic acid hydrochloride,3-1h-imidazol-1-yl methyl benzoic acid-hydrogen chloride 1/1 PubChem CID: 18525763 IUPAC Name: 3-(imidazol-1-ylmethyl)benzoic acid;hydrochloride SMILES: C1=CC(=CC(=C1)CN2C=CN=C2)C(=O)O.Cl
1-Allyl-3-methylimidazolium bromide, 97%
CAS: 31410-07-8 Molecular Formula: C7H11BrN2 Molecular Weight (g/mol): 203.08 MDL Number: MFCD08277003 InChI Key: KLFDZFIZKMEUGI-UHFFFAOYSA-M Synonym: 1-allyl-3-methylimidazolium bromide,1-allyl-3-methyl-1h-imidazol-3-ium bromide,1-methyl-3-prop-2-en-1-yl imidazol-1-ium bromide,ksc221i2h,3-methyl-1-prop-2-en-1-yl imidazol-1-ium bromide PubChem CID: 11229454 SMILES: [Br-].C[N+]1=CN(CC=C)C=C1
1-Ethyl-3-methylimidazolium bromide, 98%
CAS: 65039-08-9 Molecular Formula: C6H11BrN2 Molecular Weight (g/mol): 191.07 MDL Number: MFCD03427610 InChI Key: GWQYPLXGJIXMMV-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br PubChem CID: 2734235 SMILES: [Br-].CCN1C=C[N+](C)=C1
1-n-Butyl-3-methylimidazolium bromide, 99%
CAS: 85100-77-2 Molecular Formula: C8H15BrN2 Molecular Weight (g/mol): 219.126 MDL Number: MFCD03427611 InChI Key: KYCQOKLOSUBEJK-UHFFFAOYSA-M Synonym: 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-]
1-Benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbonylchloride hydrochloride, ≥97%, Thermo Scientific™
CAS: 568577-86-6 Molecular Formula: C12H12Cl2N2OS Molecular Weight (g/mol): 303.201 MDL Number: MFCD04974045 InChI Key: AUZZRVMDIAHPNZ-UHFFFAOYSA-N Synonym: 1-benzyl-2-methylsulfanyl-1h-imidazole-5-carbonyl chloride hydrochloride,3-benzyl-2-methylsulfanyl imidazole-4-carbonyl chloride hydrochloride,3-benzyl-2-methylsulfanylimidazole-4-carbonyl chloride hydrochloride,1-benzyl-2-methylthio-1h-imidazole-5-carbonyl chloride hydrochloride PubChem CID: 2795486 IUPAC Name: 3-benzyl-2-methylsulfanylimidazole-4-carbonyl chloride;hydrochloride SMILES: CSC1=NC=C(N1CC2=CC=CC=C2)C(=O)Cl.Cl
2,9-Diacetylguanine, 96%, Thermo Scientific™
CAS: 3056-33-5 Molecular Formula: C9H9N5O3 Molecular Weight (g/mol): 235.20 MDL Number: MFCD00142116 InChI Key: GILZZWCROUGLIS-UHFFFAOYSA-N PubChem CID: 76461 IUPAC Name: N-(9-acetyl-6-oxo-3H-purin-2-yl)acetamide SMILES: CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C(C)=O
1-Hexyl-3-methylimidazolium hexafluorophosphate, 99%
CAS: 304680-35-1 Molecular Formula: C10H19F6N2P Molecular Weight (g/mol): 312.24 MDL Number: MFCD03093296 InChI Key: YPWSSSRXUOQNMQ-UHFFFAOYSA-N Synonym: 1-hexyl-3-methylimidazolium hexafluorophosphate,1-hexyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,1-n-hexyl-3-methylimidazolium hexafluorophosphate,acmc-209hg2,dsstox_cid_27925,dsstox_rid_82678,dsstox_gsid_47949,ksc222c9l,1-hexyl-3-methyl-imidazol-3-ium hexafluorophosphate,1-hex-1-yl-3-methyl-1h-imidazol-3-ium hexafluorophosphate PubChem CID: 2734175 IUPAC Name: 1-hexyl-3-methylimidazol-3-ium;hexafluorophosphate SMILES: F[P-](F)(F)(F)(F)F.CCCCCCN1C=C[N+](C)=C1
(1-Methyl-1H-imidazol-2-yl)methanol, 97%, Thermo Scientific™
CAS: 17334-08-6 Molecular Formula: C5H8N2O Molecular Weight (g/mol): 112.132 MDL Number: MFCD00964673 InChI Key: CDQDMLWGTVLQEE-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazol-2-yl methanol,1-methylimidazol-2-yl methanol,1h-imidazole-2-methanol, 1-methyl,1-methyl-2-imidazolyl methanol,2-hydroxymethyl-1-methylimidazole,imidazole-2-methanol, 1-methyl,1-methyl-1h-imidazole-2-methanol,1-methylimidazol-2-yl methan-1-ol,pubchem9047 PubChem CID: 573612 IUPAC Name: (1-methylimidazol-2-yl)methanol SMILES: CN1C=CN=C1CO
5-Aminoimidazole-4-carboxamide, 95%
CAS: 360-97-4 Molecular Formula: C4H6N4O Molecular Weight (g/mol): 126.12 MDL Number: MFCD02181040 InChI Key: DVNYTAVYBRSTGK-UHFFFAOYSA-N Synonym: 5-aminoimidazole-4-carboxamide,5-amino-1h-imidazole-4-carboxamide,4-amino-5-imidazolecarboxamide,5-amino-4-imidazolecarboxamide,colahepat,4-aminoimidazole-5-carboxamide,aica,1h-imidazole-4-carboxamide, 5-amino,diazol-c,4-carbamoyl-5-aminoimidazole PubChem CID: 9679 ChEBI: CHEBI:2030 IUPAC Name: 4-amino-1H-imidazole-5-carboxamide SMILES: NC(=O)C1=C(N)N=CN1
2-Butyl-1H-imidazole-4-carbaldehyde, 97%, Thermo Scientific™
CAS: 68282-49-5 Molecular Formula: C8H12N2O Molecular Weight (g/mol): 152.197 MDL Number: MFCD01075030 InChI Key: PTHGVOCFAZSNNA-UHFFFAOYSA-N Synonym: 2-butyl-1h-imidazole-4-carbaldehyde,2-butyl-5-formylimidazole,2-butyl-4-formylimidazole,2-butyl-4-imidazolyl formaldehyde,unii-u12g73sqsx,2-butyl-1h-imidazole-5-carboxaldehyde,u12g73sqsx,1h-imidazole-5-carboxaldehyde, 2-butyl,2-butylimidazole-4-carbaldehyde,2-butyl-3h-imidazole-4-carbaldehyde PubChem CID: 2735671 IUPAC Name: 2-butyl-1H-imidazole-5-carbaldehyde SMILES: CCCCC1=NC=C(N1)C=O
1-n-Hexyl-3-methylimidazolium hexafluorophosphate, 99%
CAS: 304680-35-1 Molecular Formula: C10H19F6N2P Molecular Weight (g/mol): 312.24 MDL Number: MFCD03093296 InChI Key: YPWSSSRXUOQNMQ-UHFFFAOYSA-N Synonym: 1-hexyl-3-methylimidazolium hexafluorophosphate,1-hexyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,1-n-hexyl-3-methylimidazolium hexafluorophosphate,acmc-209hg2,dsstox_cid_27925,dsstox_rid_82678,dsstox_gsid_47949,ksc222c9l,1-hexyl-3-methyl-imidazol-3-ium hexafluorophosphate,1-hex-1-yl-3-methyl-1h-imidazol-3-ium hexafluorophosphate PubChem CID: 2734175 SMILES: F[P-](F)(F)(F)(F)F.CCCCCCN1C=C[N+](C)=C1