1-[(4-chlorophenyl)methyl]cyclopropan-1-amine

• ChemBase ID: 308754
• Molecular Formular: C10H12ClN
• Molecular Mass: 181.66198
• Monoisotopic Mass: 181.06582707
• SMILES: C1(CC1)(Cc1ccc(Cl)cc1)N
• Canonical SMILES: NC1(CC1)Cc1ccc(cc1)Cl
• InChI: InChI=1S/C10H12ClN/c11-9-3-1-8(2-4-9)7-10(12)5-6-10/h1-4H,5-7,12H2
• InChIKey: NJUZFTLDBLQHCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(4-chlorophenyl)methyl]cyclopropan-1-amine
• IUPAC Traditional name: 1-[(4-chlorophenyl)methyl]cyclopropan-1-amine
• Synonyms: 1-(4-chlorobenzyl)cyclopropanamine

Database IDs

• CAS Number: 27018-60-6
• MDL Number: MFCD09788366

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.63243735
• LogD (pH = 7.4): 0.016297204
• Log P: 2.3810534
• Molar Refractivity: 51.192 cm^3
• Polarizability: 20.272228 Å^3
• Polar Surface Area: 26.02 Å^2