O-benzylhydroxylamine

• ChemBase ID: 77705
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: O(Cc1ccccc1)N
• Canonical SMILES: NOCc1ccccc1
• InChI: InChI=1S/C7H9NO/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2
• InChIKey: XYEOALKITRFCJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: O-benzylhydroxylamine
• IUPAC Traditional name: O-benzylhydroxylamine
• Synonyms: [(Aminooxy)methyl]benzene; O-Benzylhydroxylamine; O-Benzylhydroxylamine; O-苄基羟胺

Database IDs

• CAS Number: 622-33-3
• MDL Number: MFCD00221709
• Beilstein Number: 1906691
• PubChem SID: 162042576
• PubChem CID: 102313

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3476743
• LogD (pH = 7.4): 1.3617549
• Log P: 1.3619374
• Molar Refractivity: 36.9436 cm^3
• Polarizability: 14.390438 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 118-119°C/30mm; 118-119°C/30mm
• Density: 1.058
• Refractive Index: 1.5410

Safety Information

• Storage Warning: Corrosive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310

Product Information

• Purity: 96%; 97%