(1-cyclopropyl-1H-imidazol-5-yl)methanamine

• ChemBase ID: 309378
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1(c(cnc1)CN)C1CC1
• Canonical SMILES: NCc1cncn1C1CC1
• InChI: InChI=1S/C7H11N3/c8-3-7-4-9-5-10(7)6-1-2-6/h4-6H,1-3,8H2
• InChIKey: XKXFDQDBERIAIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyclopropyl-1H-imidazol-5-yl)methanamine
• IUPAC Traditional name: (3-cyclopropylimidazol-4-yl)methanamine
• Synonyms: 1-(1-cyclopropyl-1H-imidazol-5-yl)methanamine

Database IDs

• CAS Number: 1227465-77-1
• MDL Number: MFCD16556136

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3626897
• LogD (pH = 7.4): -1.7239014
• Log P: -0.41021404
• Molar Refractivity: 39.4716 cm^3
• Polarizability: 15.219418 Å^3
• Polar Surface Area: 43.84 Å^2