2-(3-chlorophenyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 278353
• Molecular Formular: C9H11Cl2N
• Molecular Mass: 204.09634
• Monoisotopic Mass: 203.02685472
• SMILES: C1(CC1N)c1cc(Cl)ccc1.Cl
• Canonical SMILES: NC1CC1c1cccc(c1)Cl.Cl
• InChI: InChI=1S/C9H10ClN.ClH/c10-7-3-1-2-6(4-7)8-5-9(8)11;/h1-4,8-9H,5,11H2;1H
• InChIKey: QRDJNIKTHWYMIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-chlorophenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2-(3-chlorophenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 2-(3-chlorophenyl)cyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD19982549
• PubChem SID: 164334263
• PubChem CID: 53534948

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0542169
• LogD (pH = 7.4): -0.19715625
• Log P: 1.9429271
• Molar Refractivity: 46.5014 cm^3
• Polarizability: 18.430704 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%