[bis(benzyloxy)phosphanyl]dimethylamine

• ChemBase ID: 151986
• Molecular Formular: C16H20NO2P
• Molecular Mass: 289.309261
• Monoisotopic Mass: 289.12316552
• SMILES: CN(C)P(OCc1ccccc1)OCc1ccccc1
• Canonical SMILES: CN(P(OCc1ccccc1)OCc1ccccc1)C
• InChI: InChI=1S/C16H20NO2P/c1-17(2)20(18-13-15-9-5-3-6-10-15)19-14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
• InChIKey: GDEJGFHRPXLQNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [bis(benzyloxy)phosphanyl]dimethylamine
• IUPAC Traditional name: [bis(benzyloxy)phosphanyl]dimethylamine
• Synonyms: Dibenzyl N,N-dimethylphosphoramidite; 二苄基 N,N-二甲基亚磷酰胺

Database IDs

• CAS Number: 164654-49-3
• MDL Number: MFCD00239442
• Beilstein Number: 7427974
• PubChem SID: 162246132; 24860476
• PubChem CID: 736298

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1789207
• LogD (pH = 7.4): 3.7603784
• Log P: 4.0556
• Molar Refractivity: 84.0484 cm^3
• Polarizability: 32.91762 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.089 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.553

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (GC)
• Empirical Formula (Hill Notation): C16H20NO2P

DETAILS

Sigma Aldrich - 33737

Other Notes
Reagent for the fast and clean phosphitylation of alcohols, including hindered alcohols1
Packaging
5 mL in glass bottle