Basic information
- CAS
80354-49-0- Standard SMILES
O=NN(CCCl)C(=O)ON1C(=O)CCC1=O- InChIKey
KZZILGDAMASFTG-UHFFFAOYSA-N- Molecular formula
- C7H8ClN3O5
- Average molar mass
- 249.61 g/mol
- Monoisotopic mass
- 249.0152481
Names & identifiers
- Preferred name
- 2,5-Pyrrolidinedione, 1-((((2-chloroethyl)nitrosoamino)carbonyl)oxy)-
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) N-(2-chloroethyl)-N-nitrosocarbamate
- English name
- Carbamic acid, (2-chloroethyl)nitroso-, 2,5-dioxo-1-pyrrolidinyl ester
- Molecular formula
- C7H8ClN3O5
- Molecular weight
- 249.61
Names & synonyms
80354-49-0CARBAMIC ACID, (2-CHLOROETHYL)NITROSO-, 2,5-DIOXO-1-PYRROLIDINYL ESTERDTXSID20230261RefChem:1060147DTXCID201527522,5-Pyrrolidinedione, 1-((((2-chloroethyl)nitrosoamino)carbonyl)oxy)-ICIG 1734BRN 4704704(2-Chloroethyl)nitrosocarbamic acid 2,5-dioxo-1-pyrrolidinyl esterN-(Chloro-2 ethyl) N-nitrosocarbamate de succinimidyle [French]CHEMBL50513N-(Chloro-2 ethyl) N-nitrosocarbamate de succinimidyle
Show more names
(2,5-dioxopyrrolidin-1-yl) N-(2-chloroethyl)-N-nitrosocarbamate2,5-Pyrrolidinedione, 1-[[[(2-chloroethyl)nitrosoamino]carbonyl]oxy]- (9CI)
2,5-Dioxopyrrolidin-1-yl (2-chloroethyl)(nitroso)carbamate
Database identifiers
- CAS
80354-49-0
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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