methyl(3-methylbutyl)amine hydrochloride

• ChemBase ID: 261231
• Molecular Formular: C6H16ClN
• Molecular Mass: 137.65094
• Monoisotopic Mass: 137.0971272
• SMILES: N(CCC(C)C)C.Cl
• Canonical SMILES: CNCCC(C)C.Cl
• InChI: InChI=1S/C6H15N.ClH/c1-6(2)4-5-7-3;/h6-7H,4-5H2,1-3H3;1H
• InChIKey: VCJIRVHWQPACGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(3-methylbutyl)amine hydrochloride
• IUPAC Traditional name: methyl(3-methylbutyl)amine hydrochloride
• Synonyms: methyl(3-methylbutyl)amine hydrochloride

Database IDs

• MDL Number: MFCD00101606
• PubChem SID: 164317141
• PubChem CID: 20208988

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.816933
• LogD (pH = 7.4): -1.4624791
• Log P: 1.4180397
• Molar Refractivity: 33.1156 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 176 - 178°C
• Hydrophobicity(logP): 1.468

Product Information

• Purity: 95%