2-chlorocyclopentan-1-amine hydrochloride

• ChemBase ID: 236189
• Molecular Formular: C5H11Cl2N
• Molecular Mass: 156.05354
• Monoisotopic Mass: 155.02685472
• SMILES: C1(C(Cl)CCC1)N.Cl
• Canonical SMILES: ClC1CCCC1N.Cl
• InChI: InChI=1S/C5H10ClN.ClH/c6-4-2-1-3-5(4)7;/h4-5H,1-3,7H2;1H
• InChIKey: BVRQXAFEMHESLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chlorocyclopentan-1-amine hydrochloride
• IUPAC Traditional name: 2-chlorocyclopentan-1-amine hydrochloride
• Synonyms: 2-chlorocyclopentan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD00204030
• PubChem SID: 164292099
• PubChem CID: 71755655

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9719967
• LogD (pH = 7.4): -0.98084915
• Log P: 1.0089313
• Molar Refractivity: 30.7445 cm^3
• Polarizability: 12.560691 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 172 - 174°C
• Hydrophobicity(logP): 0.991

Product Information

• Purity: 95%