[(1-methyl-1H-imidazol-2-yl)methyl](propyl)amine

• ChemBase ID: 307348
• Molecular Formular: C8H15N3
• Molecular Mass: 153.2248
• Monoisotopic Mass: 153.1265975
• SMILES: c1(n(ccn1)C)CNCCC
• Canonical SMILES: CCCNCc1nccn1C
• InChI: InChI=1S/C8H15N3/c1-3-4-9-7-8-10-5-6-11(8)2/h5-6,9H,3-4,7H2,1-2H3
• InChIKey: VRNYCHMSJPVAFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-methyl-1H-imidazol-2-yl)methyl](propyl)amine
• IUPAC Traditional name: [(1-methylimidazol-2-yl)methyl](propyl)amine
• Synonyms: N-[(1-methyl-1H-imidazol-2-yl)methyl]propan-1-amine

Database IDs

• CAS Number: 915922-13-3
• MDL Number: MFCD08691582

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9112097
• LogD (pH = 7.4): -0.25943354
• Log P: 0.5892975
• Molar Refractivity: 45.7571 cm^3
• Polarizability: 17.79362 Å^3
• Polar Surface Area: 29.85 Å^2