(1-phenylcyclopropyl)methanamine

• ChemBase ID: 101846
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: C1(CC1)(c1ccccc1)CN
• Canonical SMILES: NCC1(CC1)c1ccccc1
• InChI: InChI=1S/C10H13N/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5H,6-8,11H2
• InChIKey: FUEMGCALFIHXAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-phenylcyclopropyl)methanamine
• IUPAC Traditional name: (1-phenylcyclopropyl)methanamine
• Synonyms: (1-Phenylcyclopropyl)methanamine; 1-phenylcyclopropanemethylamine; (1-phenylcyclopropyl)methylamine

Database IDs

• CAS Number: 935-42-2; 23459-38-3
• MDL Number: MFCD06213079
• PubChem SID: 162089192
• PubChem CID: 70287

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3191898
• LogD (pH = 7.4): -0.36598888
• Log P: 1.6669233
• Molar Refractivity: 46.3539 cm^3
• Polarizability: 18.463287 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.867

Product Information

• Purity: 95%; 95+%; 97%; 98%