cyclopropyl(phenyl)methanamine hydrochloride

• ChemBase ID: 52749
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: c1cccc(c1)C(N)C1CC1.Cl
• Canonical SMILES: NC(c1ccccc1)C1CC1.Cl
• InChI: InChI=1S/C10H13N.ClH/c11-10(9-6-7-9)8-4-2-1-3-5-8;/h1-5,9-10H,6-7,11H2;1H
• InChIKey: QTUNRTDRPMOQNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyl(phenyl)methanamine hydrochloride
• IUPAC Traditional name: cyclopropyl(phenyl)methanamine hydrochloride
• Synonyms: Cyclopropyl(phenyl)methanamine hydrochloride; 1-cyclopropyl-1-phenylmethanamine hydrochloride; 1-[Amino(cyclopropyl)methyl]benzene hydrochloride; 1-Cyclopropyl-1-phenylmethylamine hydrochloride; alpha-Cyclopropylbenzylamine hydrochloride

Database IDs

• CAS Number: 39959-72-3; 23459-38-3
• MDL Number: MFCD08445589
• PubChem SID: 162057512
• PubChem CID: 12280941

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0713054
• LogD (pH = 7.4): -0.37788
• Log P: 1.9393586
• Molar Refractivity: 46.1436 cm^3
• Polarizability: 18.5436 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 232 - 234°C
• Hydrophobicity(logP): 1.847

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%
• Salt Data: HCl