cyclohex-3-en-1-amine hydrochloride

• ChemBase ID: 276835
• Molecular Formular: C6H12ClN
• Molecular Mass: 133.61918
• Monoisotopic Mass: 133.06582707
• SMILES: C1=CCCC(N)C1.Cl
• Canonical SMILES: NC1CCC=CC1.Cl
• InChI: InChI=1S/C6H11N.ClH/c7-6-4-2-1-3-5-6;/h1-2,6H,3-5,7H2;1H
• InChIKey: OTEBFUBTLSFFRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohex-3-en-1-amine hydrochloride
• IUPAC Traditional name: cyclohex-3-en-1-amine hydrochloride
• Synonyms: cyclohex-3-en-1-amine hydrochloride

Database IDs

• MDL Number: MFCD10566844
• PubChem SID: 164332745
• PubChem CID: 13040868

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.215466
• LogD (pH = 7.4): -1.9074231
• Log P: 0.81189
• Molar Refractivity: 32.0496 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: 168 - 170°C
• Hydrophobicity(logP): 0.883

Product Information

• Purity: 95%