2-(1-aminoethyl)phenol

• ChemBase ID: 308033
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: c1(c(O)cccc1)C(N)C
• Canonical SMILES: CC(c1ccccc1O)N
• InChI: InChI=1S/C8H11NO/c1-6(9)7-4-2-3-5-8(7)10/h2-6,10H,9H2,1H3
• InChIKey: ZWKWKJWRIYGQFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-aminoethyl)phenol
• IUPAC Traditional name: 2-(1-aminoethyl)phenol
• Synonyms: 2-(1-aminoethyl)phenol

Database IDs

• CAS Number: 89985-53-5
• MDL Number: MFCD09050109

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.7374277
• LogD (pH = 7.4): -0.61741465
• Log P: 0.2175477
• Molar Refractivity: 40.9311 cm^3
• Polarizability: 16.146685 Å^3
• Polar Surface Area: 46.25 Å^2