3-amino-2-methylbutan-1-ol

• ChemBase ID: 278159
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: C(C(N)C)(CO)C
• Canonical SMILES: CC(C(N)C)CO
• InChI: InChI=1S/C5H13NO/c1-4(3-7)5(2)6/h4-5,7H,3,6H2,1-2H3
• InChIKey: PTQQVFJSDCETDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-2-methylbutan-1-ol
• IUPAC Traditional name: 3-amino-2-methylbutan-1-ol
• Synonyms: 3-amino-2-methylbutan-1-ol

Database IDs

• MDL Number: MFCD18430999
• PubChem SID: 164334069
• PubChem CID: 12542086

CALCULATED PROPERTIES

• Acid pKa: 15.432638
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.381092
• LogD (pH = 7.4): -2.8917727
• Log P: -0.35970256
• Molar Refractivity: 29.9117 cm^3
• Polarizability: 12.084012 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.249

Product Information

• Purity: 95%