2-(2-chlorophenyl)cyclopropan-1-amine

• ChemBase ID: 266722
• Molecular Formular: C9H10ClN
• Molecular Mass: 167.6354
• Monoisotopic Mass: 167.05017701
• SMILES: C1(CC1N)c1c(Cl)cccc1
• Canonical SMILES: NC1CC1c1ccccc1Cl
• InChI: InChI=1S/C9H10ClN/c10-8-4-2-1-3-6(8)7-5-9(7)11/h1-4,7,9H,5,11H2
• InChIKey: RTSGJRWDGWWLFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)cyclopropan-1-amine
• IUPAC Traditional name: 2-(2-chlorophenyl)cyclopropan-1-amine
• Synonyms: 2-(2-chlorophenyl)cyclopropan-1-amine

Database IDs

• MDL Number: MFCD11934570
• PubChem SID: 164322632
• PubChem CID: 21190555

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.049171
• LogD (pH = 7.4): -0.14512305
• Log P: 1.9429271
• Molar Refractivity: 46.5014 cm^3
• Polarizability: 18.432178 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.191

Product Information

• Purity: 95%