methyl(pentan-2-yl)amine hydrochloride

• ChemBase ID: 257245
• Molecular Formular: C6H16ClN
• Molecular Mass: 137.65094
• Monoisotopic Mass: 137.0971272
• SMILES: N(C(CCC)C)C.Cl
• Canonical SMILES: CCCC(NC)C.Cl
• InChI: InChI=1S/C6H15N.ClH/c1-4-5-6(2)7-3;/h6-7H,4-5H2,1-3H3;1H
• InChIKey: AOMLOTWGVLUDQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(pentan-2-yl)amine hydrochloride
• IUPAC Traditional name: methyl(pentan-2-yl)amine hydrochloride
• Synonyms: N-methyl-N-(1-methylbutyl)amine hydrochloride

Database IDs

• MDL Number: MFCD11099634
• PubChem SID: 164313155
• PubChem CID: 42919600

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6888233
• LogD (pH = 7.4): -1.3867704
• Log P: 1.5475956
• Molar Refractivity: 32.9858 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 68 - 70°C
• Hydrophobicity(logP): 1.378

Product Information

• Purity: 95%