2-methyl-1-(methylamino)propan-2-ol

• ChemBase ID: 274836
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: C(O)(CNC)(C)C
• Canonical SMILES: CNCC(O)(C)C
• InChI: InChI=1S/C5H13NO/c1-5(2,7)4-6-3/h6-7H,4H2,1-3H3
• InChIKey: KYCZVVFGMGLNPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-(methylamino)propan-2-ol
• IUPAC Traditional name: 2-methyl-1-(methylamino)propan-2-ol
• Synonyms: 2-methyl-1-(methylamino)-2-propanol; 2-methyl-1-(methylamino)propan-2-ol

Database IDs

• MDL Number: MFCD11043099
• PubChem SID: 164330746
• PubChem CID: 13432442

CALCULATED PROPERTIES

• Acid pKa: 15.03229
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.4075065
• LogD (pH = 7.4): -2.7464983
• Log P: -0.18582879
• Molar Refractivity: 30.0427 cm^3
• Polarizability: 12.084012 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.283

Product Information

• Purity: 95%