(2-methylcyclohexyl)methanamine hydrochloride

• ChemBase ID: 263800
• Molecular Formular: C8H18ClN
• Molecular Mass: 163.68822
• Monoisotopic Mass: 163.11277726
• SMILES: C1(C(C)CCCC1)CN.Cl
• Canonical SMILES: NCC1CCCCC1C.Cl
• InChI: InChI=1S/C8H17N.ClH/c1-7-4-2-3-5-8(7)6-9;/h7-8H,2-6,9H2,1H3;1H
• InChIKey: JYHOKCIRCSEKOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylcyclohexyl)methanamine hydrochloride
• IUPAC Traditional name: (2-methylcyclohexyl)methanamine hydrochloride
• Synonyms: (2-methylcyclohexyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD13196171
• PubChem SID: 164319710
• PubChem CID: 22992896

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2482855
• LogD (pH = 7.4): -0.83263093
• Log P: 1.7758435
• Molar Refractivity: 40.2124 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 243 - 245°C
• Hydrophobicity(logP): 2.505

Product Information

• Purity: 95%