benzyl(pentan-3-yl)amine

• ChemBase ID: 307898
• Molecular Formular: C12H19N
• Molecular Mass: 177.28596
• Monoisotopic Mass: 177.15174961
• SMILES: N(Cc1ccccc1)C(CC)CC
• Canonical SMILES: CCC(NCc1ccccc1)CC
• InChI: InChI=1S/C12H19N/c1-3-12(4-2)13-10-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
• InChIKey: VOIZJUMZXMKPAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(pentan-3-yl)amine
• IUPAC Traditional name: benzyl(pentan-3-yl)amine
• Synonyms: N-benzylpentan-3-amine

Database IDs

• CAS Number: 61977-85-3
• MDL Number: MFCD08691717

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.12441197
• LogD (pH = 7.4): 0.71585727
• Log P: 3.3500223
• Molar Refractivity: 57.5214 cm^3
• Polarizability: 22.984793 Å^3
• Polar Surface Area: 12.03 Å^2