N,2-dimethylcyclohexan-1-amine hydrochloride

• ChemBase ID: 255104
• Molecular Formular: C8H18ClN
• Molecular Mass: 163.68822
• Monoisotopic Mass: 163.11277726
• SMILES: C1(C(C)CCCC1)NC.Cl
• Canonical SMILES: CNC1CCCCC1C.Cl
• InChI: InChI=1S/C8H17N.ClH/c1-7-5-3-4-6-8(7)9-2;/h7-9H,3-6H2,1-2H3;1H
• InChIKey: RVJDRRXGVVIXPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethylcyclohexan-1-amine hydrochloride
• IUPAC Traditional name: N,2-dimethylcyclohexan-1-amine hydrochloride
• Synonyms: N,2-dimethylcyclohexanamine hydrochloride

Database IDs

• MDL Number: MFCD09971428
• PubChem SID: 164311014
• PubChem CID: 24686260

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2672127
• LogD (pH = 7.4): -1.0578921
• Log P: 1.9713649
• Molar Refractivity: 40.1792 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141 - 143°C
• Hydrophobicity(logP): 2.032

Product Information

• Purity: 95%