1-(phenylamino)butan-2-ol

• ChemBase ID: 266668
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: N(c1ccccc1)CC(O)CC
• Canonical SMILES: CCC(CNc1ccccc1)O
• InChI: InChI=1S/C10H15NO/c1-2-10(12)8-11-9-6-4-3-5-7-9/h3-7,10-12H,2,8H2,1H3
• InChIKey: CHVYORVUVCOIQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12764467
• PubChem SID: 164322578
• PubChem CID: 14072197

CALCULATED PROPERTIES

• Acid pKa: 14.892985
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6709901
• LogD (pH = 7.4): 1.6947083
• Log P: 1.6950194
• Molar Refractivity: 51.4869 cm^3
• Polarizability: 19.461857 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 48 - 50°C
• Hydrophobicity(logP): 1.715

Product Information

• Purity: 95%