(trimethyl-1H-imidazol-2-yl)methanamine

• ChemBase ID: 307671
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: n1c(n(c(c1C)C)C)CN
• Canonical SMILES: NCc1nc(c(n1C)C)C
• InChI: InChI=1S/C7H13N3/c1-5-6(2)10(3)7(4-8)9-5/h4,8H2,1-3H3
• InChIKey: GQBHJQMCIUZWGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (trimethyl-1H-imidazol-2-yl)methanamine
• IUPAC Traditional name: (trimethylimidazol-2-yl)methanamine
• Synonyms: 1-(1,4,5-trimethyl-1H-imidazol-2-yl)methanamine

Database IDs

• CAS Number: 1211504-26-5
• MDL Number: MFCD14702854

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9284353
• LogD (pH = 7.4): -1.2179009
• Log P: -0.39168176
• Molar Refractivity: 41.4511 cm^3
• Polarizability: 15.794956 Å^3
• Polar Surface Area: 43.84 Å^2