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

• ChemBase ID: 180460
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: C(C(C)(NC)C)O
• Canonical SMILES: OCC(NC)(C)C
• InChI: InChI=1S/C5H13NO/c1-5(2,4-7)6-3/h6-7H,4H2,1-3H3
• InChIKey: LHYBRZAQMRWQOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 27646-80-6
• MDL Number: MFCD12184529
• PubChem SID: 164236370
• PubChem CID: 422780

CALCULATED PROPERTIES

• Acid pKa: 14.795642
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.4039006
• LogD (pH = 7.4): -2.6881208
• 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%; 95+%