4-(1-aminoethyl)phenol

• ChemBase ID: 308006
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: c1(ccc(cc1)O)C(N)C
• Canonical SMILES: CC(c1ccc(cc1)O)N
• InChI: InChI=1S/C8H11NO/c1-6(9)7-2-4-8(10)5-3-7/h2-6,10H,9H2,1H3
• InChIKey: CDQPLIAKRDYOCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-aminoethyl)phenol
• IUPAC Traditional name: 1-(p-hydroxyphenyl)ethylamine
• Synonyms: 4-(1-aminoethyl)phenol

Database IDs

• CAS Number: 134855-87-1
• MDL Number: MFCD00143209

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.7868938
• LogD (pH = 7.4): -0.9519688
• Log P: 0.45385507
• Molar Refractivity: 40.9311 cm^3
• Polarizability: 16.146418 Å^3
• Polar Surface Area: 46.25 Å^2