O-[(benzyloxy)methyl]hydroxylamine

• ChemBase ID: 71387
• Molecular Formular: C8H11NO2
• Molecular Mass: 153.17844
• Monoisotopic Mass: 153.0789786
• SMILES: C(ON)OCc1ccccc1
• Canonical SMILES: NOCOCc1ccccc1
• InChI: InChI=1S/C8H11NO2/c9-11-7-10-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
• InChIKey: WATGQJJIGNUEFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: O-[(benzyloxy)methyl]hydroxylamine
• IUPAC Traditional name: O-[(benzyloxy)methyl]hydroxylamine
• Synonyms: O-[(Benzyloxy)methyl]hydroxylamine

Database IDs

• CAS Number: 895588-70-2
• MDL Number: MFCD11111598
• PubChem SID: 162036977
• PubChem CID: 40151768

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4075481
• LogD (pH = 7.4): 1.424838
• Log P: 1.4250629
• Molar Refractivity: 42.7966 cm^3
• Polarizability: 16.914785 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: >97%; 97%