Basic information
- CAS
82219-38-3- Standard SMILES
NC(=O)CC(NC(=O)N(CCCl)N=O)C(=O)O- InChIKey
SECKMTYHGFUQJZ-UHFFFAOYSA-N- Molecular formula
- C7H11ClN4O5
- Average molar mass
- 266.64 g/mol
- Monoisotopic mass
- 266.0417972
Names & identifiers
- Preferred name
- 4-Amino-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-4-oxobutanoic acid
- IUPAC
- 4-amino-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-4-oxobutanoic acid
Names & synonyms
NSC35656482219-38-3DTXSID40320239NSC-356564N~2~-[(2-Chloroethyl)(nitroso)carbamoyl]asparagine
Database identifiers
- CAS
82219-38-3- PubChem CID
- 337697
- DTXSID
DTXSID40320239
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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