cyclohex-2-en-1-amine hydrochloride

• ChemBase ID: 237612
• Molecular Formular: C6H12ClN
• Molecular Mass: 133.61918
• Monoisotopic Mass: 133.06582707
• SMILES: C1=CCCCC1N.Cl
• Canonical SMILES: NC1CCCC=C1.Cl
• InChI: InChI=1S/C6H11N.ClH/c7-6-4-2-1-3-5-6;/h2,4,6H,1,3,5,7H2;1H
• InChIKey: MIRLLJUILCZOAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohex-2-en-1-amine hydrochloride
• IUPAC Traditional name: cyclohex-2-en-1-amine hydrochloride
• Synonyms: cyclohex-2-en-1-amine hydrochloride

Database IDs

• MDL Number: MFCD14635796
• PubChem SID: 164293522
• PubChem CID: 13149674

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0465474
• LogD (pH = 7.4): -1.4123452
• Log P: 0.96779746
• Molar Refractivity: 31.8956 cm^3
• Polarizability: 12.366833 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146 - 148°C
• Hydrophobicity(logP): 1.083

Product Information

• Purity: 95%