1-(4-methyl-1H-imidazol-2-yl)propan-1-amine

• ChemBase ID: 309341
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: n1c([nH]cc1C)C(N)CC
• Canonical SMILES: CCC(c1[nH]cc(n1)C)N
• InChI: InChI=1S/C7H13N3/c1-3-6(8)7-9-4-5(2)10-7/h4,6H,3,8H2,1-2H3,(H,9,10)
• InChIKey: DLKUIKKXLRKYMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methyl-1H-imidazol-2-yl)propan-1-amine
• IUPAC Traditional name: 1-(4-methyl-1H-imidazol-2-yl)propan-1-amine
• Synonyms: 1-(4-methyl-1H-imidazol-2-yl)-1-propanamine

Database IDs

• CAS Number: 1155056-18-0
• MDL Number: MFCD12105091

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.426862
• LogD (pH = 7.4): -0.79681927
• Log P: 0.2763675
• Molar Refractivity: 40.4226 cm^3
• Polarizability: 15.954903 Å^3
• Polar Surface Area: 54.7 Å^2