1-amino-3-(dimethylamino)-2-methylpropan-2-ol

• ChemBase ID: 242537
• Molecular Formular: C6H16N2O
• Molecular Mass: 132.20404
• Monoisotopic Mass: 132.12626314
• SMILES: C(CN(C)C)(O)(CN)C
• Canonical SMILES: NCC(CN(C)C)(O)C
• InChI: InChI=1S/C6H16N2O/c1-6(9,4-7)5-8(2)3/h9H,4-5,7H2,1-3H3
• InChIKey: RVVWAUIOBTWDNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-3-(dimethylamino)-2-methylpropan-2-ol
• IUPAC Traditional name: 1-amino-3-(dimethylamino)-2-methylpropan-2-ol
• Synonyms: 1-amino-3-(dimethylamino)-2-methylpropan-2-ol

Database IDs

• MDL Number: MFCD20423179
• PubChem SID: 164298447
• PubChem CID: 64820313

CALCULATED PROPERTIES

• Acid pKa: 14.336571
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.5505104
• LogD (pH = 7.4): -4.00874
• Log P: -0.9565726
• Molar Refractivity: 38.5386 cm^3
• Polarizability: 15.452998 Å^3
• Polar Surface Area: 49.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.75

Product Information

• Purity: 95%