methyl[4-(methylamino)butyl]amine

• ChemBase ID: 276728
• Molecular Formular: C6H16N2
• Molecular Mass: 116.20464
• Monoisotopic Mass: 116.13134852
• SMILES: N(CCCCNC)C
• Canonical SMILES: CNCCCCNC
• InChI: InChI=1S/C6H16N2/c1-7-5-3-4-6-8-2/h7-8H,3-6H2,1-2H3
• InChIKey: CZPRYVBLOUZRGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[4-(methylamino)butyl]amine
• IUPAC Traditional name: methyl[4-(methylamino)butyl]amine
• Synonyms: methyl[4-(methylamino)butyl]amine; N1,N4-Dimethylbutane-1,4-diamine

Database IDs

• CAS Number: 16011-97-5
• MDL Number: MFCD00039799; MFCD00047977
• PubChem SID: 164332638
• PubChem CID: 85238

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.4500976
• LogD (pH = 7.4): -5.7504616
• Log P: 0.020040523
• Molar Refractivity: 36.9278 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.672

Product Information

• Purity: 95%; 95+%