3-methylpentan-2-amine hydrochloride

• ChemBase ID: 277368
• Molecular Formular: C6H16ClN
• Molecular Mass: 137.65094
• Monoisotopic Mass: 137.0971272
• SMILES: C(N)(C(CC)C)C.Cl
• Canonical SMILES: CCC(C(N)C)C.Cl
• InChI: InChI=1S/C6H15N.ClH/c1-4-5(2)6(3)7;/h5-6H,4,7H2,1-3H3;1H
• InChIKey: AJSXBTQVKAIUDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylpentan-2-amine hydrochloride
• IUPAC Traditional name: 3-methylpentan-2-amine hydrochloride
• Synonyms: 3-methylpentan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD19686428
• PubChem SID: 164333278
• PubChem CID: 54594623

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5480653
• LogD (pH = 7.4): -1.2673907
• Log P: 1.479988
• Molar Refractivity: 32.6828 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

• Melting Point: 124 - 126°C
• Hydrophobicity(logP): 1.631

Product Information

• Purity: 95%