Organoheterocyclic compounds
1-Ethyl-2,3-dimethylimidazolium chloride, 97%
CAS: 92507-97-6 Molecular Formula: C7H13N2 Molecular Weight (g/mol): 125.19 MDL Number: MFCD03093290 InChI Key: IRGDPGYNHSIIJJ-UHFFFAOYSA-N Synonym: 1-ethyl-2,3-dimethylimidazolium chloride,1-ethyl-2,3-dimethyl-1h-imidazol-3-ium chloride,ksc496m4d,1,2-dimethyl-3-ethylimidazolium chloride,1-ethyl-2,3-dimethyl-imidazolium chloride,1-ethyl-2,3-dimethylimidazol-3-ium chloride,1-ethyl-2,3-dimethylimidazol-1-ium chloride,3-ethyl-1,2-dimethylimidazol-1-ium chloride,1-ethyl-2,3-dimethylimidazolium chloride t PubChem CID: 2734165 IUPAC Name: 1-ethyl-2,3-dimethylimidazol-3-ium;chloride SMILES: CCN1C=C[N+](C)=C1C
4-Nitroimidazole, 97%
CAS: 3034-38-6 Molecular Formula: C3H3N3O2 Molecular Weight (g/mol): 113.08 MDL Number: MFCD00005196 InChI Key: VYDWQPKRHOGLPA-UHFFFAOYSA-N Synonym: 4-nitroimidazole,4-nitro-1h-imidazole,1h-imidazole, 4-nitro,5-nitroimidazole,4 5-nitroimidazole,imidazole, 4-nitro,1h-imidazole, 5-nitro,unii-y8u32az5o7,5 4-nitroimidazole,4-nitro-3h-imidazole PubChem CID: 18208 ChEBI: CHEBI:64635 IUPAC Name: 5-nitro-1H-imidazole SMILES: [O-][N+](=O)C1=CN=CN1
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
1H-Imidazole-4-carbaldehyde, 97%, Thermo Scientific™
CAS: 3034-50-2 Molecular Formula: C4H4N2O Molecular Weight (g/mol): 96.089 MDL Number: MFCD00173726 InChI Key: ZQEXIXXJFSQPNA-UHFFFAOYSA-N Synonym: 1h-imidazole-4-carbaldehyde,imidazole-4-carbaldehyde,1h-imidazole-4-carboxaldehyde,imidazole-4-carboxaldehyde,4-imidazolecarboxaldehyde,4-formylimidazole,4 5-imidazolecarboxaldehyde,3h-imidazole-4-carbaldehyde,4-formyl-1h-imidazole,imidazole-5-carbaldehyde PubChem CID: 76428 IUPAC Name: 1H-imidazole-5-carbaldehyde SMILES: C1=C(NC=N1)C=O
1-n-Butyl-3-methylimidazolium trifluoromethanesulfonate, 98%
CAS: 174899-66-2 Molecular Formula: C9H15F3N2O3S Molecular Weight (g/mol): 288.285 MDL Number: MFCD03427620 InChI Key: FRZPYEHDSAQGAS-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium trifluoromethanesulfonate,1-butyl-3-methylimidazolium trifluoromethansulfonate,1-butyl-3-methylimidazolium triflate,c4mim triflate,bmim otf,acmc-1bwln,basionics™ vs 12,dsstox_cid_29088,dsstox_rid_83307,dsstox_gsid_49232 PubChem CID: 2734246 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;trifluoromethanesulfonate SMILES: CCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]
4-Nitroimidazole, 98%
CAS: 3034-38-6 Molecular Formula: C3H3N3O2 Molecular Weight (g/mol): 113.08 MDL Number: MFCD00005196 InChI Key: VYDWQPKRHOGLPA-UHFFFAOYSA-N Synonym: 4-nitroimidazole,4-nitro-1h-imidazole,1h-imidazole, 4-nitro,5-nitroimidazole,4 5-nitroimidazole,imidazole, 4-nitro,1h-imidazole, 5-nitro,unii-y8u32az5o7,5 4-nitroimidazole,4-nitro-3h-imidazole PubChem CID: 18208 ChEBI: CHEBI:64635 IUPAC Name: 5-nitro-1H-imidazole SMILES: [O-][N+](=O)C1=CN=CN1
1-Ethyl-3-methylimidazolium methyl sulfate, 98%
CAS: 516474-01-4 Molecular Formula: C7H14N2O4S Molecular Weight (g/mol): 222.259 MDL Number: MFCD08457697 InChI Key: BXSDLSWVIAITRQ-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium methyl sulfate,1-ethyl-3-methylimidazolium methylsulfate,1-ethyl-3-methyl-1h-imidazol-3-ium methyl sulfate,1-ethyl-3-methylimidazolium methyl sulfate 1-,1-ethyl-3-methylimidazoliummethylsulfate,dsstox_cid_29266,dsstox_rid_83385,dsstox_gsid_49310,1-ethyl-3-methylimidazolium methylsul-fate,1-ethyl-3-methylimidazolium methyl sulfate hplc PubChem CID: 16211409 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;methyl sulfate SMILES: CCN1C=C[N+](=C1)C.COS(=O)(=O)[O-]
4-(1-Imidazolyl)phenol, 97%
CAS: 10041-02-8 Molecular Formula: C9H8N2O Molecular Weight (g/mol): 160.18 MDL Number: MFCD00005281 InChI Key: CYKCUAPYWQDIKR-UHFFFAOYSA-N Synonym: 4-imidazol-1-yl phenol,4-1h-imidazol-1-yl phenol,4-imidazol-1-yl-phenol,4-1-imidazolyl phenol,1-p-hydroxyphenyl imidazole,phenol, 4-1h-imidazol-1-yl,1-4-hydroxyphenyl imidazole,4-imidazolylphenol,4‐ 1h‐imidazol‐1‐yl phenol compound 1,p-1-imidazolyl phenol PubChem CID: 82315 IUPAC Name: 4-imidazol-1-ylphenol SMILES: OC1=CC=C(C=C1)N1C=CN=C1
1-n-Butyl-3-methylimidazolium tetrafluoroborate, 98+%
CAS: 174501-65-6 Molecular Formula: C8H15BF4N2 Molecular Weight (g/mol): 226.03 MDL Number: MFCD03095449 InChI Key: LSBXQLQATZTAPE-UHFFFAOYSA-N Synonym: 1-butyl-3-methylimidazolium tetrafluoroborate,1-n-butyl-3-methylimidazolium tetrafluoroborate,3-butyl-1-methyl-1h-imidazol-3-ium tetrafluoroborate,unii-t2tvz2306t,bmimbf4,butylmethylimidazolium tetrafluoroborate,1-butyl-3-methylimidazolium terafluoroborate,1-methyl-3-butylimidazolium tetrafluoroborate,c4mim tetrafluoroborate,1-butyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate PubChem CID: 2734178 SMILES: F[B-](F)(F)F.CCCCN1C=C[N+](C)=C1
2-(1-Imidazolyl)acetonitrile, 95%
CAS: 98873-55-3 Molecular Formula: C5H5N3 Molecular Weight (g/mol): 107.116 MDL Number: MFCD06421433 InChI Key: ZPGCVVBPGQJSPX-UHFFFAOYSA-N Synonym: 2-1h-imidazol-1-yl acetonitrile,imidazol-1-yl-acetonitrile,1-cyanomethyl imidazole,1h-imidazole-1-acetonitrile,1h-imidazol-1-ylacetonitrile,2-1-imidazolyl acetonitrile,1-imidazolyl acetonitrile,2-imidazol-1-yl acetonitrile,1h-imidazol-1-yl acetonitrile,1-cyanomethylimidazole PubChem CID: 11804695 IUPAC Name: 2-imidazol-1-ylacetonitrile SMILES: C1=CN(C=N1)CC#N
3-(1H-Imidazol-1-ylmethyl)aniline, 97%, Thermo Scientific™
CAS: 120107-85-9 Molecular Formula: C10H11N3 Molecular Weight (g/mol): 173.219 InChI Key: HOZXQBSHRUITCX-UHFFFAOYSA-N Synonym: 3-1h-imidazol-1-ylmethyl aniline,3-1h-imidazol-1-yl methyl aniline,3-imidazol-1-ylmethyl aniline,benzenamine, 3-1h-imidazol-1-ylmethyl,3-1-imidazolylmethyl aniline,3-imidazol-1-ylmethyl-phenylamine,benzenamine,3-1h-imidazol-1-ylmethyl,3-imidazolylmethyl phenylamine,acmc-20e0av PubChem CID: 6481821 IUPAC Name: 3-(imidazol-1-ylmethyl)aniline SMILES: C1=CC(=CC(=C1)N)CN2C=CN=C2
2-Thioxanthine, 98+%
CAS: 2487-40-3 Molecular Formula: C5H4N4OS Molecular Weight (g/mol): 168.174 MDL Number: MFCD00031505 InChI Key: XNHFAGRBSMMFKL-UHFFFAOYSA-N Synonym: 2-thioxanthine,6-hydroxy-2-mercaptopurine,2-mercapto-9h-purin-6-ol,2-thioxanthene,2-mercapto-6-hydroxypurine,2-thio-6-oxypurine,6-hydroxypurine-2-thiol,2-thioxo-2,3-dihydro-1h-purin-6 7h-one,xanthine, 2-thio,6h-purin-6-one, 1,2,3,7-tetrahydro-2-thioxo PubChem CID: 1268185 IUPAC Name: 2-sulfanylidene-3,7-dihydropurin-6-one SMILES: C1=NC2=C(N1)C(=O)NC(=S)N2
Theophylline, Anhydrous, USP, 97-102%, Spectrum™ Chemical
CAS: 58-55-9 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.17 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N IUPAC Name: 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CN1C2=C(NC=N2)C(=O)N(C)C1=O
bis-Benzimide H-33342 trihydrochloride trihydrate, 98%
CAS: 23491-52-3 Molecular Formula: C27H28N6O Molecular Weight (g/mol): 452.562 MDL Number: MFCD00012679 InChI Key: PRDFBSVERLRRMY-UHFFFAOYSA-N Synonym: hoechst 33342,bisbenzimide,hoechst33342,unii-99kzs6cnzx,99kzs6cnzx,2'-4-ethoxyphenyl-5-4-methylpiperazin-1-yl-1h,1'h-2,5'-bibenzo d imidazole,2'-4-ethoxyphenyl-5-4-methyl-1-piperazinyl-2,5'-bi-benzimidazole,2'-4-ethoxyphenyl-5-4-methyl-1-piperazinyl-2,5'-bi-1h-benzimidazole,2'-4'-ethoxyphenyl-5-4-methylpiperazin-1-yl-2,5'-bis-1h-benzimidazole trihydrochloride trihydrate,2'-p-ethoxyphenyl-5-4-methyl-1-piperazinyl-2,5'-bibenzimidazole PubChem CID: 1464 ChEBI: CHEBI:51232 IUPAC Name: 2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole SMILES: CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C
1-Ethyl-3-methylimidazolium hydrogen sulfate, 98%
CAS: 412009-61-1 Molecular Formula: C6H12N2O4S Molecular Weight (g/mol): 208.23 MDL Number: MFCD06798195 InChI Key: HZKDSQCZNUUQIF-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium hydrogen sulfate,1-ethyl-3-methylimidazolium hydrogensulfate,basionics™ ac 25,acmc-209jj9,dsstox_cid_29156,dsstox_rid_83375,dsstox_gsid_49300,1-ethyl-3-methylimidazoliumhydrogensulfate,1-methyl-3-ethylimidazolium hydrogensulfate,1h-imidazolium,1-ethyl-3-methyl-,sulfate 1:1 PubChem CID: 16217215 SMILES: OS([O-])(=O)=O.CCN1C=C[N+](C)=C1