N-methoxy-N-methylacetamide

• ChemBase ID: 69998
• Molecular Formular: C4H9NO2
• Molecular Mass: 103.11976
• Monoisotopic Mass: 103.06332853
• SMILES: C(=O)(C)N(C)OC
• Canonical SMILES: CON(C(=O)C)C
• InChI: InChI=1S/C4H9NO2/c1-4(6)5(2)7-3/h1-3H3
• InChIKey: OYVXVLSZQHSNDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methoxy-N-methylacetamide
• IUPAC Traditional name: N-methoxy-N-methylacetamide
• Synonyms: N-Methoxy-N-methylacetamide; N-Methoxy-N-methylacetamide; N-甲氧基-N-甲基乙酰胺

Database IDs

• CAS Number: 78191-00-1
• MDL Number: MFCD00060098
• PubChem SID: 24873684; 162035723
• PubChem CID: 537505

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.43183327
• LogD (pH = 7.4): -0.43183327
• Log P: -0.43183327
• Molar Refractivity: 25.6095 cm^3
• Polarizability: 10.050503 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 152 °C(lit.)
• Flash Point: 120.2 °F; 49 °C
• Density: 0.97 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.426(lit.)

Safety Information

• Storage Warning: IRRITANT
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• TSCA Listed: false
• 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 1993 3/PG 3

Product Information

• Purity: 95+%; 98%
• Linear Formula: CH3CON(OCH3)CH3

DETAILS

Sigma Aldrich - 513253

General description
Simple Weinreb amide used in the synthesis of marine natural products myriaporone1 and usneoidone2 as a ketone synthon.
Packaging
5 g in glass bottle