(cyclohexylmethyl)(methyl)amine hydrochloride

• ChemBase ID: 254486
• Molecular Formular: C8H18ClN
• Molecular Mass: 163.68822
• Monoisotopic Mass: 163.11277726
• SMILES: N(CC1CCCCC1)C.Cl
• Canonical SMILES: CNCC1CCCCC1.Cl
• InChI: InChI=1S/C8H17N.ClH/c1-9-7-8-5-3-2-4-6-8;/h8-9H,2-7H2,1H3;1H
• InChIKey: AZYHUEHPKHAEKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclohexylmethyl)(methyl)amine hydrochloride
• IUPAC Traditional name: (cyclohexylmethyl)(methyl)amine hydrochloride
• Synonyms: N-(cyclohexylmethyl)-N-methylamine hydrochloride

Database IDs

• MDL Number: MFCD08707972
• PubChem SID: 164310396
• PubChem CID: 17157587

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.315493
• LogD (pH = 7.4): -1.0323288
• Log P: 1.9214048
• Molar Refractivity: 40.4384 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 196 - 198°C
• Hydrophobicity(logP): 2.132

Product Information

• Purity: 95%