Basic information
- CAS
13909-28-9- Standard SMILES
CN(C)C(=O)c1ccc(NC(=O)N(CCCl)N=O)cc1- InChIKey
PZDRJSZTIYNYJZ-UHFFFAOYSA-N- Molecular formula
- C12H15ClN4O3
- Average molar mass
- 298.72 g/mol
- Monoisotopic mass
- 298.083268
Names & identifiers
- Preferred name
- Urea, 1-(2-chloroethyl)-3-(p-(dimethylcarbamoyl)phenyl)-3-nitroso-
- IUPAC
- 4-[[2-chloroethyl(nitroso)carbamoyl]amino]-N,N-dimethylbenzamide
- English name
- 1-(2-Chloroethyl)-3-[p-(dimethylcarbamoyl)phenyl]-3-nitrosourea
- Molecular weight
- 0
Names & synonyms
13909-28-9Urea, 1-(2-chloroethyl)-3-(p-(dimethylcarbamoyl)phenyl)-3-nitroso-DTXSID90160905RefChem:1100735DTXCID9083396Benzamide,N-dimethylUrea, 1-(2-chloroethyl)-3-(p-(dimethylcarbamoyl)phenyl)-1-nitroso-Urea, 1-(2-chloroethyl)-3-[p-(dimethylcarbamoyl)phenyl]-1-nitroso-4-[[2-chloroethyl(nitroso)carbamoyl]amino]-N,N-dimethylbenzamideNSC95963NSC 95963BRN 2892387
Show more names
1-(2-Chloroethyl)-3-[p-(dimethylcarbamoyl)phenyl]-3-nitrosourea
4-{[(2-chloroethyl)(nitroso)carbamoyl]amino}-n,n-dimethylbenzamideCHEMBL2734161-(2-Chloroethyl)-3-(p-(dimethylcarbamoyl)phenyl)-3-nitrosoureaNSC-95963Benzamide, 4-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-N,N-dimethyl
Database identifiers
- CAS
13909-28-9- PubChem CID
- 96995
- DTXSID
DTXSID90160905- ChEMBL
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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