4,4-dimethylcyclohexan-1-amine hydrochloride

• ChemBase ID: 289409
• Molecular Formular: C8H18ClN
• Molecular Mass: 163.68822
• Monoisotopic Mass: 163.11277726
• SMILES: Cl.CC1(C)CCC(N)CC1
• Canonical SMILES: NC1CCC(CC1)(C)C.Cl
• InChI: InChI=1S/C8H17N.ClH/c1-8(2)5-3-7(9)4-6-8;/h7H,3-6,9H2,1-2H3;1H
• InChIKey: YKJQPGPTKYUTHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4-dimethylcyclohexan-1-amine hydrochloride
• IUPAC Traditional name: 4,4-dimethylcyclohexan-1-amine hydrochloride
• Synonyms: 4,4-Dimethylcyclohexanamine hydrochloride

Database IDs

• CAS Number: 25834-99-5
• MDL Number: MFCD08460047
• PubChem SID: 180674940
• PubChem CID: 24191928

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2670602
• LogD (pH = 7.4): -0.9817334
• Log P: 1.7608778
• Molar Refractivity: 39.9567 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%