N-{[(2-methoxyethoxy)carbonyl]imino}(2-methoxyethoxy)formamide

• ChemBase ID: 143472
• Molecular Formular: C8H14N2O6
• Molecular Mass: 234.20656
• Monoisotopic Mass: 234.08518618
• SMILES: COCCOC(=O)/N=N/C(=O)OCCOC
• Canonical SMILES: COCCOC(=O)/N=N/C(=O)OCCOC
• InChI: InChI=1S/C8H14N2O6/c1-13-3-5-15-7(11)9-10-8(12)16-6-4-14-2/h3-6H2,1-2H3
• InChIKey: PGHKJMVOHWKSLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[(2-methoxyethoxy)carbonyl]imino}(2-methoxyethoxy)formamide
• IUPAC Traditional name: N-{[(2-methoxyethoxy)carbonyl]imino}(2-methoxyethoxy)formamide
• Synonyms: Azodicarboxylic acid bis(2-methoxyethyl ester); DMEAD; Di-2-methoxyethyl azodicarboxylate

Database IDs

• CAS Number: 940868-64-4
• MDL Number: MFCD17018843
• Beilstein Number: 11134057
• PubChem SID: 162237691
• PubChem CID: 22836032

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.03426748
• LogD (pH = 7.4): -0.03426748
• Log P: -0.03426748
• Molar Refractivity: 51.066 cm^3
• Polarizability: 20.374756 Å^3
• Polar Surface Area: 95.78 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H242-H315-H319-H332-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥96.5% (GC)
• Empirical Formula (Hill Notation): C8H14N2O6