[bis(benzyloxy)methyl]dimethylamine

• ChemBase ID: 156291
• Molecular Formular: C17H21NO2
• Molecular Mass: 271.35414
• Monoisotopic Mass: 271.15722892
• SMILES: CN(C)C(OCc1ccccc1)OCc1ccccc1
• Canonical SMILES: CN(C(OCc1ccccc1)OCc1ccccc1)C
• InChI: InChI=1S/C17H21NO2/c1-18(2)17(19-13-15-9-5-3-6-10-15)20-14-16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
• InChIKey: JFIKHFNGAURIIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [bis(benzyloxy)methyl]dimethylamine
• IUPAC Traditional name: [bis(benzyloxy)methyl]dimethylamine
• Synonyms: 1,1-Dibenzyloxytrimethylamine; 1,1-Dibenzyloxy-N,N-dimethylmethylamine; N,N-Dimethylformamide dibenzyl acetal; 1,1-二苄氧基-N,N-二甲基甲胺; 1,1-二苄氧基三甲胺; N,N-二甲基甲酰胺二苄基缩醛

Database IDs

• CAS Number: 2016-04-8
• EC Number: 217-946-7
• MDL Number: MFCD00014869
• Beilstein Number: 2052397
• PubChem SID: 162250429
• PubChem CID: 74837

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.2114916
• LogD (pH = 7.4): 4.25739
• Log P: 4.258008
• Molar Refractivity: 81.5392 cm^3
• Polarizability: 32.059185 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 118-120 °C(lit.); 138-140°C/0.5mm
• Flash Point: 100 °C; 212 °F
• Density: 1.045; 1.045 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.536(lit.); n20/D 1.538

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• 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: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ~90% (NMR); tech. 85%
• Grade: technical
• Linear Formula: (CH3)2NCH(OCH2C6H5)2

DETAILS

Sigma Aldrich - 40260

Other Notes
Review1