2,3-dimethylbutan-2-amine hydrochloride

• ChemBase ID: 263596
• Molecular Formular: C6H16ClN
• Molecular Mass: 137.65094
• Monoisotopic Mass: 137.0971272
• SMILES: C(N)(C(C)C)(C)C.Cl
• Canonical SMILES: CC(C(N)(C)C)C.Cl
• InChI: InChI=1S/C6H15N.ClH/c1-5(2)6(3,4)7;/h5H,7H2,1-4H3;1H
• InChIKey: WJTAYKJBSPQDIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethylbutan-2-amine hydrochloride
• IUPAC Traditional name: 2,3-dimethylbutan-2-amine hydrochloride
• Synonyms: 2,3-dimethylbutan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD01694856
• PubChem SID: 164319506
• PubChem CID: 207362

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7142608
• LogD (pH = 7.4): -1.5339574
• Log P: 1.315996
• Molar Refractivity: 32.72 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 319 - 321°C
• Hydrophobicity(logP): 1.501

Product Information

• Purity: 95%