4-(1-aminopropyl)phenol

• ChemBase ID: 308327
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: c1(ccc(cc1)O)C(N)CC
• Canonical SMILES: CCC(c1ccc(cc1)O)N
• InChI: InChI=1S/C9H13NO/c1-2-9(10)7-3-5-8(11)6-4-7/h3-6,9,11H,2,10H2,1H3
• InChIKey: WTQZYHPAVNTISM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-aminopropyl)phenol
• IUPAC Traditional name: 4-(1-aminopropyl)phenol
• Synonyms: 4-(1-aminopropyl)phenol

Database IDs

• CAS Number: 85068-38-8
• MDL Number: MFCD09047748

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.2667333
• LogD (pH = 7.4): -0.45698026
• Log P: 0.96907794
• Molar Refractivity: 45.4551 cm^3
• Polarizability: 17.992126 Å^3
• Polar Surface Area: 46.25 Å^2