Diethyl imidocarbonate
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Basic information
- CAS
2812-77-3- Standard SMILES
CCOC(=N)OCC- InChIKey
IOPGBGMYUPEGOK-UHFFFAOYSA-N- Molecular formula
- C5H11NO2
- Average molar mass
- 117.15 g/mol
- Monoisotopic mass
- 117.07897859
Names & identifiers
- Preferred name
- Diethyl imidocarbonate
- IUPAC
- diethoxymethanimine
- English name
- diethyl imidocarbonate
- Molecular formula
- C5H11NO2
- Molecular weight
- 117.15
Names & synonyms
Diethyl imidocarbonatediethyl carbonimidate2812-77-3diethoxymethanimineimidocarbonic acid diethyl esterEINECS 220-559-6HW4L3UML28SCHEMBL5462451Carbonimidic acid, diethyl esterDTXSID60182396AKOS006277556NS00047974
Database identifiers
- CAS
2812-77-3- PubChem CID
- 76054
- DTXSID
DTXSID60182396- UNII
- HW4L3UML28
- EC Number
- 220-559-6
- Nikkaji
- J306.752A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 64.8
Physicochemical properties
- Boiling point
- 40 °C · 40 °C(Press: 12 Torr)
- Density
- 0.9637 g/cm3 · 0.9637 g/cm3(Temp: 22 °C)
- pka
- 5.58 · 5.58±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
3 records
Compound notes
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