2-(phenylamino)butan-1-ol

• ChemBase ID: 268203
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: N(c1ccccc1)C(CO)CC
• Canonical SMILES: CCC(Nc1ccccc1)CO
• InChI: InChI=1S/C10H15NO/c1-2-9(8-12)11-10-6-4-3-5-7-10/h3-7,9,11-12H,2,8H2,1H3
• InChIKey: FGMZLSIURNPYDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(phenylamino)butan-1-ol
• IUPAC Traditional name: 2-(phenylamino)butan-1-ol
• Synonyms: 2-(phenylamino)butan-1-ol

Database IDs

• MDL Number: MFCD12781332
• PubChem SID: 164324113
• PubChem CID: 14976484

CALCULATED PROPERTIES

• Acid pKa: 15.108809
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6749449
• LogD (pH = 7.4): 1.6947607
• Log P: 1.6950194
• Molar Refractivity: 51.4869 cm^3
• Polarizability: 19.461712 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.715

Product Information

• Purity: 95%