(1-aminobutan-2-yl)dimethylamine

• ChemBase ID: 33564
• Molecular Formular: C6H16N2
• Molecular Mass: 116.20464
• Monoisotopic Mass: 116.13134852
• SMILES: N(C(CN)CC)(C)C
• Canonical SMILES: CCC(N(C)C)CN
• InChI: InChI=1S/C6H16N2/c1-4-6(5-7)8(2)3/h6H,4-5,7H2,1-3H3
• InChIKey: QYMUENUCKRLOTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-aminobutan-2-yl)dimethylamine
• IUPAC Traditional name: (1-aminobutan-2-yl)dimethylamine
• Synonyms: N~2~,N~2~-dimethyl-1,2-butanediamine; N2,N2-Dimethyl-1,2-butanediamine; N-[1-(Aminomethyl)propyl]-N,N-dimethylamine

Database IDs

• CAS Number: 19764-59-1
• MDL Number: MFCD09730739
• PubChem SID: 160996871
• PubChem CID: 559569

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.580933
• LogD (pH = 7.4): -2.2732058
• Log P: 0.33228308
• Molar Refractivity: 36.8807 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 - CBR00285

Other Notes
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Legal Information
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