3,3-dimethylbutan-1-amine hydrochloride

• ChemBase ID: 256885
• Molecular Formular: C6H16ClN
• Molecular Mass: 137.65094
• Monoisotopic Mass: 137.0971272
• SMILES: C(CCN)(C)(C)C.Cl
• Canonical SMILES: NCCC(C)(C)C.Cl
• InChI: InChI=1S/C6H15N.ClH/c1-6(2,3)4-5-7;/h4-5,7H2,1-3H3;1H
• InChIKey: CWISRCWPFJNOGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-dimethylbutan-1-amine hydrochloride
• IUPAC Traditional name: 3,3-dimethylbutan-1-amine hydrochloride
• Synonyms: 3,3-dimethylbutan-1-amine hydrochloride

Database IDs

• CAS Number: 30564-98-8
• MDL Number: MFCD11099509
• PubChem SID: 164312795
• PubChem CID: 42944931

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.738154
• LogD (pH = 7.4): -1.3089385
• Log P: 1.2855064
• Molar Refractivity: 32.8161 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: 353 - 355°C
• Hydrophobicity(logP): 1.721

Product Information

• Purity: 95%