(3S)-3-aminobutan-1-ol

• ChemBase ID: 288489
• Molecular Formular: C4H11NO
• Molecular Mass: 89.13624
• Monoisotopic Mass: 89.08406398
• SMILES: C[C@H](N)CCO
• Canonical SMILES: C[C@@H](CCO)N
• InChI: InChI=1S/C4H11NO/c1-4(5)2-3-6/h4,6H,2-3,5H2,1H3/t4-/m0/s1
• InChIKey: AGMZSYQMSHMXLT-BYPYZUCNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-3-aminobutan-1-ol
• IUPAC Traditional name: (3S)-3-aminobutan-1-ol
• Synonyms: (S)-3-Aminobutan-1-ol

Database IDs

• CAS Number: 61477-39-2
• MDL Number: MFCD08275763
• PubChem SID: 180674020
• PubChem CID: 9942121

CALCULATED PROPERTIES

• Acid pKa: 15.92544
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8595269
• LogD (pH = 7.4): -3.3488677
• Log P: -0.8390261
• Molar Refractivity: 25.4953 cm^3
• Polarizability: 10.242338 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%