methyl(3-methylbutan-2-yl)amine hydrochloride

• ChemBase ID: 144025
• Molecular Formular: C6H16ClN
• Molecular Mass: 137.65094
• Monoisotopic Mass: 137.0971272
• SMILES: CC(C)C(C)NC.Cl
• Canonical SMILES: CNC(C(C)C)C.Cl
• InChI: InChI=1S/C6H15N.ClH/c1-5(2)6(3)7-4;/h5-7H,1-4H3;1H
• InChIKey: APSFIFPEPAHXGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(3-methylbutan-2-yl)amine hydrochloride
• IUPAC Traditional name: methyl(3-methylbutan-2-yl)amine hydrochloride
• Synonyms: (1,2-Dimethylpropyl)methylamine hydrochloride; N,3-dimethylbutan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD09971391
• PubChem SID: 162238242
• PubChem CID: 43810525

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7699797
• LogD (pH = 7.4): -1.5328643
• Log P: 1.4679997
• Molar Refractivity: 32.8564 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 98 - 100°C
• Hydrophobicity(logP): 1.248

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C6H16ClN

DETAILS

Sigma Aldrich - CBR00876

Other Notes
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Legal Information
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