2-methylpentan-2-amine hydrochloride

• ChemBase ID: 87511
• Molecular Formular: C6H16ClN
• Molecular Mass: 137.65094
• Monoisotopic Mass: 137.0971272
• SMILES: NC(CCC)(C)C.Cl
• Canonical SMILES: CCCC(N)(C)C.Cl
• InChI: InChI=1S/C6H15N.ClH/c1-4-5-6(2,3)7;/h4-5,7H2,1-3H3;1H
• InChIKey: HZUOBIXWYQOUBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpentan-2-amine hydrochloride
• IUPAC Traditional name: 2-methylpentan-2-amine hydrochloride
• Synonyms: 2-methylpentan-2-amine hydrochloride; 2-Amino-2-methylpentane hydrochloride; 2-Methylpentan-2-amine hydrochloride; 1,1-Dimethylbutylamine hydrochloride

Database IDs

• CAS Number: 112306-54-4
• MDL Number: MFCD00102055
• PubChem SID: 162074551
• PubChem CID: 13778902

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6343478
• LogD (pH = 7.4): -1.4380436
• Log P: 1.3955919
• Molar Refractivity: 32.8494 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: 204 - 206°C
• Hydrophobicity(logP): 1.631

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%