2,6-dimethylcyclohexan-1-amine hydrochloride

• ChemBase ID: 255654
• Molecular Formular: C8H18ClN
• Molecular Mass: 163.68822
• Monoisotopic Mass: 163.11277726
• SMILES: C1(C(CCCC1C)C)N.Cl
• Canonical SMILES: CC1CCCC(C1N)C.Cl
• InChI: InChI=1S/C8H17N.ClH/c1-6-4-3-5-7(2)8(6)9;/h6-8H,3-5,9H2,1-2H3;1H
• InChIKey: BSUFNVVBXFPPCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethylcyclohexan-1-amine hydrochloride
• IUPAC Traditional name: 2,6-dimethylcyclohexan-1-amine hydrochloride
• Synonyms: 2,6-dimethylcyclohexanamine hydrochloride

Database IDs

• MDL Number: MFCD09971633
• PubChem SID: 164311564
• PubChem CID: 22250942

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1252682
• LogD (pH = 7.4): -0.8859763
• Log P: 1.9037573
• Molar Refractivity: 39.8762 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 294 - 296°C
• Hydrophobicity(logP): 2.405

Product Information

• Purity: 95%