2-chlorocyclohexan-1-amine hydrochloride

• ChemBase ID: 234916
• Molecular Formular: C6H13Cl2N
• Molecular Mass: 170.08012
• Monoisotopic Mass: 169.04250478
• SMILES: C1(C(Cl)CCCC1)N.Cl
• Canonical SMILES: NC1CCCCC1Cl.Cl
• InChI: InChI=1S/C6H12ClN.ClH/c7-5-3-1-2-4-6(5)8;/h5-6H,1-4,8H2;1H
• InChIKey: FTFJHAZPJYUWPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03425314
• PubChem SID: 164290826
• PubChem CID: 20468220

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5274309
• LogD (pH = 7.4): -0.5363038
• Log P: 1.4534999
• Molar Refractivity: 35.3455 cm^3
• Polarizability: 14.39774 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 1.55

Product Information

• Purity: 95%