Basic information
- CAS
59960-30-4- Standard SMILES
CN(C)C(=O)N(CCCl)N=O- InChIKey
NEQGOOOOLVHDDF-UHFFFAOYSA-N- Molecular formula
- C5H10ClN3O2
- Average molar mass
- 179.6 g/mol
- Monoisotopic mass
- 179.0461543
Names & identifiers
- Preferred name
- 1-Nitroso-1-(2-chloroethyl)-3,3-dimethylurea
- IUPAC
- 1-(2-chloroethyl)-3,3-dimethyl-1-nitrosourea
Names & synonyms
59960-30-43-(2-chloroethyl)-1,1-dimethyl-3-nitrosoureaNSC247513BRN 22550381-Nitroso-1-(2-chloroethyl)-3,3-dimethylureaUrea, 1-(2-chloroethyl)-3,3-dimethyl-1-nitroso-CHEMBL1969968DTXSID30975393NSC 247513NSC-247513NCI60_001974N-(2-Chloroethyl)-N',N'-dimethyl-N-nitrosourea
Database identifiers
- CAS
59960-30-4- PubChem CID
- 99604
- DTXSID
DTXSID30975393- ChEMBL
CHEMBL1969968- Nikkaji
- J59.432F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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