Methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
Basic information
- CAS
82219-34-9- Standard SMILES
COC(=O)C(C)NC(=O)N(CCCl)N=O- InChIKey
AFEPYMOVYBBFJX-UHFFFAOYSA-N- Molecular formula
- C7H12ClN3O4
- Average molar mass
- 237.64 g/mol
- Monoisotopic mass
- 237.0516336
Names & identifiers
- Preferred name
- Methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
- IUPAC
- methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
Names & synonyms
82219-34-9NSC356548methyl 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoateDTXSID40320234NSC-356548Methyl N-[(2-chloroethyl)(nitroso)carbamoyl]alaninate
Database identifiers
- CAS
82219-34-9- PubChem CID
- 337685
- DTXSID
DTXSID40320234
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 248
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Compound notes
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