(2R)-4-aminobutan-2-ol

• ChemBase ID: 240638
• Molecular Formular: C4H11NO
• Molecular Mass: 89.13624
• Monoisotopic Mass: 89.08406398
• SMILES: NCC[C@H](O)C
• Canonical SMILES: C[C@H](CCN)O
• InChI: InChI=1S/C4H11NO/c1-4(6)2-3-5/h4,6H,2-3,5H2,1H3/t4-/m1/s1
• InChIKey: NAXUFNXWXFZVSI-SCSAIBSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-4-aminobutan-2-ol
• IUPAC Traditional name: (2R)-4-aminobutan-2-ol
• Synonyms: (2R)-4-aminobutan-2-ol

Database IDs

• MDL Number: MFCD07367003
• PubChem SID: 164296548
• PubChem CID: 7019380

CALCULATED PROPERTIES

• Acid pKa: 15.623812
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8507538
• LogD (pH = 7.4): -3.1735716
• 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

Physical Property

• Hydrophobicity(logP): -0.648

Product Information

• Purity: 95%