[3-(dimethylamino)-2-hydroxypropyl](methyl)amine

• ChemBase ID: 264345
• Molecular Formular: C6H16N2O
• Molecular Mass: 132.20404
• Monoisotopic Mass: 132.12626314
• SMILES: N(CC(O)CNC)(C)C
• Canonical SMILES: CNCC(CN(C)C)O
• InChI: InChI=1S/C6H16N2O/c1-7-4-6(9)5-8(2)3/h6-7,9H,4-5H2,1-3H3
• InChIKey: ZISBGZVIQGRTRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(dimethylamino)-2-hydroxypropyl](methyl)amine
• IUPAC Traditional name: [3-(dimethylamino)-2-hydroxypropyl](methyl)amine
• Synonyms: [3-(dimethylamino)-2-hydroxypropyl](methyl)amine

Database IDs

• MDL Number: MFCD11135038
• PubChem SID: 164320255
• PubChem CID: 12700841

CALCULATED PROPERTIES

• Acid pKa: 14.527365
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.9700613
• LogD (pH = 7.4): -3.5741782
• Log P: -0.8045689
• Molar Refractivity: 38.675 cm^3
• Polarizability: 15.452998 Å^3
• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.844

Product Information

• Purity: 95%