3-amino-3-methylbutan-2-ol

• ChemBase ID: 244765
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: C(C(O)C)(N)(C)C
• Canonical SMILES: CC(C(N)(C)C)O
• InChI: InChI=1S/C5H13NO/c1-4(7)5(2,3)6/h4,7H,6H2,1-3H3
• InChIKey: RICKMFQXMYMBNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-3-methylbutan-2-ol
• IUPAC Traditional name: 3-amino-3-methylbutan-2-ol
• Synonyms: 3-amino-3-methylbutan-2-ol; 3-amino-3-methyl-2-butanol

Database IDs

• CAS Number: 13325-14-9
• MDL Number: MFCD19203579
• PubChem SID: 164300675
• PubChem CID: 13319222

CALCULATED PROPERTIES

• Acid pKa: 14.659534
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2230225
• LogD (pH = 7.4): -2.728778
• Log P: -0.20183416
• Molar Refractivity: 29.6869 cm^3
• Polarizability: 12.084012 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.278

Product Information

• Purity: 95%