3-amino-2,3-dimethylbutan-2-ol

• ChemBase ID: 285575
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: C(C(O)(C)C)(N)(C)C
• Canonical SMILES: CC(C(N)(C)C)(O)C
• InChI: InChI=1S/C6H15NO/c1-5(2,7)6(3,4)8/h8H,7H2,1-4H3
• InChIKey: OZSQDNCDEHVGBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-2,3-dimethylbutan-2-ol
• IUPAC Traditional name: 3-amino-2,3-dimethylbutan-2-ol
• Synonyms: 3-amino-2,3-dimethylbutan-2-ol

Database IDs

• MDL Number: MFCD19203546
• PubChem SID: 180671106
• PubChem CID: 15708532

CALCULATED PROPERTIES

• Acid pKa: 14.500115
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9439268
• LogD (pH = 7.4): -2.48741
• Log P: 0.07874251
• Molar Refractivity: 34.3251 cm^3
• Polarizability: 13.926987 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.121

Product Information

• Purity: 95%