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Basic information
- CAS
67792-93-2- Standard SMILES
CCOC(=O)C(C)N(N=O)C(N)=O- InChIKey
LYGNEQBGVIJKEE-UHFFFAOYSA-N- Molecular formula
- C6H11N3O4
- Average molar mass
- 189.17 g/mol
- Monoisotopic mass
- 189.07495584
Names & identifiers
- Preferred name
- Alanine, N-carbamoyl-N-nitroso-, ethyl ester
- IUPAC
- ethyl 2-[carbamoyl(nitroso)amino]propanoate
Names & synonyms
ALANINE, N-CARBAMOYL-N-NITROSO-, ETHYL ESTER67792-93-2RefChem:1076306N-Carbamoyl-N-nitrosoalanine ethyl esterDTXSID10987136N-(1-Ethoxy-1-oxopropan-2-yl)-N-nitrosocarbamimidic acid
Database identifiers
- CAS
67792-93-2- PubChem CID
- 49979
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 218
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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