1-(phenylamino)propan-2-ol

• ChemBase ID: 266205
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: N(c1ccccc1)CC(O)C
• Canonical SMILES: CC(CNc1ccccc1)O
• InChI: InChI=1S/C9H13NO/c1-8(11)7-10-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3
• InChIKey: MWCADZVQNIHFGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD10487611
• PubChem SID: 164322115
• PubChem CID: 458691

CALCULATED PROPERTIES

• Acid pKa: 15.282821
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1501043
• LogD (pH = 7.4): 1.1722077
• Log P: 1.1724969
• Molar Refractivity: 46.9629 cm^3
• Polarizability: 17.616919 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.186

Product Information

• Purity: 95%