(1-methylcyclohexyl)methanamine hydrochloride

• ChemBase ID: 237668
• Molecular Formular: C8H18ClN
• Molecular Mass: 163.68822
• Monoisotopic Mass: 163.11277726
• SMILES: C1(CN)(C)CCCCC1.Cl
• Canonical SMILES: NCC1(C)CCCCC1.Cl
• InChI: InChI=1S/C8H17N.ClH/c1-8(7-9)5-3-2-4-6-8;/h2-7,9H2,1H3;1H
• InChIKey: RVUKARCXPKBZMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methylcyclohexyl)methanamine hydrochloride
• IUPAC Traditional name: (1-methylcyclohexyl)methanamine hydrochloride
• Synonyms: (1-methylcyclohexyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD22369988
• PubChem SID: 164293578
• PubChem CID: 71755979

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1485684
• LogD (pH = 7.4): -0.53295434
• Log P: 1.8668252
• Molar Refractivity: 40.0619 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: 254 - 256°C
• Hydrophobicity(logP): 2.505

Product Information

• Purity: 95%