N,N-dibenzylhydroxylamine

• ChemBase ID: 150024
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: c1ccc(cc1)CN(Cc1ccccc1)O
• Canonical SMILES: ON(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C14H15NO/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,16H,11-12H2
• InChIKey: GXELTROTKVKZBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dibenzylhydroxylamine
• IUPAC Traditional name: N,N-dibenzylhydroxylamine
• Synonyms: N,N-Dibenzylhydroxylamine; N,N-Dibenzylhydroxylamine; N,N-二苄基羟胺

Database IDs

• CAS Number: 621-07-8
• EC Number: 210-667-1
• MDL Number: MFCD00004772
• Beilstein Number: 978234
• PubChem SID: 24893768; 162244186
• PubChem CID: 69297

CALCULATED PROPERTIES

• Acid pKa: 15.571452
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8740864
• LogD (pH = 7.4): 2.8742182
• Log P: 2.87422
• Molar Refractivity: 65.6832 cm^3
• Polarizability: 25.793898 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120-125°C; 125-128 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95+%; 98%
• Linear Formula: (C6H5CH2)2NOH

DETAILS

Sigma Aldrich - D35457

Packaging
5 g in glass bottle