2-amino-1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol

• ChemBase ID: 306758
• Molecular Formular: C6H11N3O
• Molecular Mass: 141.17104
• Monoisotopic Mass: 141.09021199
• SMILES: c1(n(ccn1)C)C(O)CN
• Canonical SMILES: NCC(c1nccn1C)O
• InChI: InChI=1S/C6H11N3O/c1-9-3-2-8-6(9)5(10)4-7/h2-3,5,10H,4,7H2,1H3
• InChIKey: AJOFBNLXIBLIPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol
• IUPAC Traditional name: 2-amino-1-(1-methylimidazol-2-yl)ethanol
• Synonyms: 2-amino-1-(1-methyl-1H-imidazol-2-yl)ethanol

Database IDs

• CAS Number: 886496-98-6
• MDL Number: MFCD05861649

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.268125
• LogD (pH = 7.4): -2.8056662
• Log P: -1.2007589
• Molar Refractivity: 37.7475 cm^3
• Polarizability: 14.741273 Å^3
• Polar Surface Area: 64.07 Å^2