(3-aminobutyl)dimethylamine

• ChemBase ID: 71923
• Molecular Formular: C6H16N2
• Molecular Mass: 116.20464
• Monoisotopic Mass: 116.13134852
• SMILES: C(CN(C)C)C(N)C
• Canonical SMILES: CN(CCC(N)C)C
• InChI: InChI=1S/C6H16N2/c1-6(7)4-5-8(2)3/h6H,4-5,7H2,1-3H3
• InChIKey: XFBCIULBTBLLOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminobutyl)dimethylamine
• IUPAC Traditional name: (3-aminobutyl)dimethylamine
• Synonyms: N~1~,N~1~-dimethylbutane-1,3-diamine; (3-aminobutyl)dimethylamine

Database IDs

• CAS Number: 18246-86-1
• MDL Number: MFCD09742179
• PubChem SID: 162037238
• PubChem CID: 12639038

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.0284076
• LogD (pH = 7.4): -3.977093
• 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

Physical Property

• Hydrophobicity(logP): 0.28

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: 95%