3-(3-aminophenyl)propan-1-ol

• ChemBase ID: 248917
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: c1c(N)cccc1CCCO
• Canonical SMILES: OCCCc1cccc(c1)N
• InChI: InChI=1S/C9H13NO/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7,11H,2,4,6,10H2
• InChIKey: DGUAFFKNTIUOFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-aminophenyl)propan-1-ol
• IUPAC Traditional name: 3-(3-aminophenyl)propan-1-ol
• Synonyms: 3-(3-aminophenyl)propan-1-ol

Database IDs

• MDL Number: MFCD09927367
• PubChem SID: 164304827
• PubChem CID: 10103334

CALCULATED PROPERTIES

• Acid pKa: 15.963385
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0489558
• LogD (pH = 7.4): 1.109372
• Log P: 1.1101999
• Molar Refractivity: 46.9303 cm^3
• Polarizability: 17.537975 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.485

Product Information

• Purity: 95%