ethyl N-methoxy-N-methylcarbamate

• ChemBase ID: 146674
• Molecular Formular: C5H11NO3
• Molecular Mass: 133.14574
• Monoisotopic Mass: 133.07389322
• SMILES: CCOC(=O)N(C)OC
• Canonical SMILES: CCOC(=O)N(OC)C
• InChI: InChI=1S/C5H11NO3/c1-4-9-5(7)6(2)8-3/h4H2,1-3H3
• InChIKey: QKKFTUDASIMWMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl N-methoxy-N-methylcarbamate
• IUPAC Traditional name: ethyl N-methoxy-N-methylcarbamate
• Synonyms: Ethyl N-methoxy-N-methylcarbamate; N-甲氧基-N-甲基氨基甲酸乙酯

Database IDs

• CAS Number: 6919-62-6
• MDL Number: MFCD00075530
• PubChem SID: 24862816; 162240867
• PubChem CID: 533715

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5442658
• LogD (pH = 7.4): 0.5442658
• Log P: 0.5442658
• Molar Refractivity: 31.9817 cm^3
• Polarizability: 12.623637 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 150-155 °C(lit.)
• Flash Point: 127.4 °F; 53 °C
• Density: 1.022 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.412(lit.)

Safety Information

• UN Number: 3272
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• Safety Statements: 16
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3272 3/PG 3

Product Information

• Purity: 98%
• Linear Formula: CH3ON(CH3)CO2C2H5

DETAILS

Sigma Aldrich - 369284

Packaging
5 g in glass bottle