3-methylcyclohexan-1-amine hydrochloride

• ChemBase ID: 256237
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: C1C(N)CCCC1C.Cl
• Canonical SMILES: CC1CCCC(C1)N.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-6-3-2-4-7(8)5-6;/h6-7H,2-5,8H2,1H3;1H
• InChIKey: OHKKCFRNDXQWLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylcyclohexan-1-amine hydrochloride
• IUPAC Traditional name: 3-methylcyclohexan-1-amine hydrochloride
• Synonyms: 3-methylcyclohexanamine hydrochloride

Database IDs

• CAS Number: 89854-71-7
• MDL Number: MFCD10686816
• PubChem SID: 164312147
• PubChem CID: 12731648

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5670276
• LogD (pH = 7.4): -1.2785163
• Log P: 1.4608308
• Molar Refractivity: 35.4816 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 173 - 175°C
• Hydrophobicity(logP): 1.886

Product Information

• Purity: 95%; 95+%