Ethyl 2-carbamoylaziridine-1-carboxylate
Basic information
- CAS
67276-90-8- Standard SMILES
CCOC(=O)N1CC1C(N)=O- InChIKey
KOUFWARDDJWPNI-UHFFFAOYSA-N- Molecular formula
- C6H10N2O3
- Average molar mass
- 158.16 g/mol
- Monoisotopic mass
- 158.06914219
Names & identifiers
- Preferred name
- Ethyl 2-carbamoylaziridine-1-carboxylate
- IUPAC
- ethyl 2-carbamoylaziridine-1-carboxylate
- English name
- 1-Aziridinecarboxylicacid,2-(aminocarbonyl)-,ethylester(9CI)
- Molecular formula
- C6H10N2O3
- Molecular weight
- 158.16
Names & synonyms
Ethyl 2-carbamoylaziridine-1-carboxylate67276-90-8SCHEMBL11197416KOUFWARDDJWPNI-UHFFFAOYSA-Nethyl 2-carbamoyl-1-aziridine-carboxylate1-Aziridinecarboxylic acid, 2-(aminocarbonyl)-, ethyl ester1-Aziridinecarboxylicacid,2-(aminocarbonyl)-,ethylester(9CI)
Database identifiers
- CAS
67276-90-8- PubChem CID
- 15917588
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 72.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Melting point
- 125 · 125-126.5 °C(Solv: acetone (67-64-1))
- Boiling point
- 347 · 347.0±31.0 °C(Predicted)
- Density
- 1.353 · 1.353±0.06 g/cm3(Predicted)
- pka
- 15.89 · 15.89±0.20(Predicted)
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Related reactions
2 records
Compound notes
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