(1r,4r)-4-methylcyclohexan-1-amine hydrochloride

• ChemBase ID: 272268
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: N[C@@H]1CC[C@H](CC1)C.Cl
• Canonical SMILES: C[C@@H]1CC[C@H](CC1)N.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-6-2-4-7(8)5-3-6;/h6-7H,2-5,8H2,1H3;1H/t6-,7-
• InChIKey: GIRKJSRZELQHDX-MEZFUOHNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1r,4r)-4-methylcyclohexan-1-amine hydrochloride
• IUPAC Traditional name: (1r,4r)-4-methylcyclohexan-1-amine hydrochloride
• Synonyms: 4-methylcyclohexan-1-amine hydrochloride; trans-4-Methylcyclohexanamine hydrochloride

Database IDs

• CAS Number: 33483-65-7
• MDL Number: MFCD07368256
• PubChem SID: 164328178
• PubChem CID: 12714125

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5671144
• LogD (pH = 7.4): -1.2820745
• 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

• Hydrophobicity(logP): 1.886

Product Information

• Purity: 95%; 95+%