Basic information
- CAS
69982-16-7- Standard SMILES
CCOC(=O)C=NNNC=O- InChIKey
UUUJAQAGZKQNNN-UHFFFAOYSA-N- Molecular formula
- C5H9N3O3
- Average molar mass
- 159.14 g/mol
- Monoisotopic mass
- 159.06439116
Names & identifiers
- Preferred name
- Ethyl (3-formyltriazan-1-ylidene)acetate
- IUPAC
- ethyl 2-(formamidohydrazinylidene)acetate
- English name
- Acetic acid, (2-formylhydrazino)imino-, ethyl ester (9CI)
- Molecular formula
- C5H9N3O3
- Molecular weight
- 159.14
Names & synonyms
69982-16-7Ethyl 2-(3-formyltriazylidene)acetateDTXSID60724139UUUJAQAGZKQNNN-UHFFFAOYSA-Nethyl (2-formylhydrazino)iminoacetateEthyl (3-formyltriazan-1-ylidene)acetateAmino-(formyl-hydrazono)-acetic acid ethyl esterAcetic acid, 2-(2-formylhydrazinyl)-2-imino-, ethyl esterAcetic acid, (2-formylhydrazino)imino-, ethyl ester (9CI)
Database identifiers
- CAS
69982-16-7- PubChem CID
- 57358554
- DTXSID
DTXSID60724139
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 148 · 148-149 °C (decomp)
- Boiling point
- 214.801 · 214.801±23.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.333 · 1.333±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.232 · 12.232±0.23(predicted)
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
PRINCETON[email protected]
Related reactions
1 records
Compound notes
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