N-(1-phenylethyl)hydroxylamine

• ChemBase ID: 248908
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: c1(C(NO)C)ccccc1
• Canonical SMILES: ONC(c1ccccc1)C
• InChI: InChI=1S/C8H11NO/c1-7(9-10)8-5-3-2-4-6-8/h2-7,9-10H,1H3
• InChIKey: RRJRFNUPXQLYHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-phenylethyl)hydroxylamine
• IUPAC Traditional name: N-(1-phenylethyl)hydroxylamine
• Synonyms: N-(1-phenylethyl)hydroxylamine

Database IDs

• MDL Number: MFCD06660399
• PubChem SID: 164304818
• PubChem CID: 11126318

CALCULATED PROPERTIES

• Acid pKa: 15.647364
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5913563
• LogD (pH = 7.4): 1.6237981
• Log P: 1.6242279
• Molar Refractivity: 51.2076 cm^3
• Polarizability: 16.162668 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 73 - 75°C
• Hydrophobicity(logP): 0.973

Product Information

• Purity: 95%