(4-aminobutan-2-yl)dimethylamine

• ChemBase ID: 33362
• Molecular Formular: C6H16N2
• Molecular Mass: 116.20464
• Monoisotopic Mass: 116.13134852
• SMILES: N(C(CCN)C)(C)C
• Canonical SMILES: NCCC(N(C)C)C
• InChI: InChI=1S/C6H16N2/c1-6(4-5-7)8(2)3/h6H,4-5,7H2,1-3H3
• InChIKey: HMNAAVUZNWPXDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-aminobutan-2-yl)dimethylamine
• IUPAC Traditional name: (4-aminobutan-2-yl)dimethylamine
• Synonyms: (3-Amino-1-methylpropyl)dimethylamine; N-(3-Amino-1-methylpropyl)-N,N-dimethylamine; (3-amino-1-methylpropyl)dimethylamine

Database IDs

• CAS Number: 60978-33-8
• MDL Number: MFCD09864510
• PubChem SID: 160996669
• PubChem CID: 21251762

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.2058163
• LogD (pH = 7.4): -4.1203365
• Log P: -0.13027959
• Molar Refractivity: 37.2221 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C6H16N2

DETAILS

Sigma Aldrich - CBR00152

Other Notes
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Legal Information
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