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

• ChemBase ID: 308668
• Molecular Formular: C9H10ClN
• Molecular Mass: 167.6354
• Monoisotopic Mass: 167.05017701
• SMILES: C1(c2c(Cl)cccc2)(CC1)N
• Canonical SMILES: Clc1ccccc1C1(N)CC1
• InChI: InChI=1S/C9H10ClN/c10-8-4-2-1-3-7(8)9(11)5-6-9/h1-4H,5-6,11H2
• InChIKey: YBGXYERMKZBANM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 870708-39-7
• MDL Number: MFCD07374468

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8740201
• LogD (pH = 7.4): 0.206328
• Log P: 2.0923922
• Molar Refractivity: 46.437 cm^3
• Polarizability: 18.511108 Å^3
• Polar Surface Area: 26.02 Å^2

PROPERTIES

Product Information

• Purity: 98%