4-methylpentan-2-amine hydrochloride

• ChemBase ID: 242373
• Molecular Formular: C6H16ClN
• Molecular Mass: 137.65094
• Monoisotopic Mass: 137.0971272
• SMILES: Cl.NC(CC(C)C)C
• Canonical SMILES: CC(CC(N)C)C.Cl
• InChI: InChI=1S/C6H15N.ClH/c1-5(2)4-6(3)7;/h5-6H,4,7H2,1-3H3;1H
• InChIKey: HJOGOCSHKIAAIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylpentan-2-amine hydrochloride
• IUPAC Traditional name: 2-pentanamine, 4-methyl- hydrochloride
• Synonyms: 4-methylpentan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD11101418
• PubChem SID: 164298283
• PubChem CID: 18769944

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6255312
• LogD (pH = 7.4): -1.3255228
• Log P: 1.4020343
• Molar Refractivity: 32.7598 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.631

Product Information

• Purity: 95%