acetamido-CNU
Basic information
- CAS
102585-46-6- Standard SMILES
CC(=O)NN(N=O)C(=O)NCCCl- InChIKey
XSIXQOVOUVBLCV-UHFFFAOYSA-N- Molecular formula
- C5H9ClN4O3
- Average molar mass
- 208.6 g/mol
- Monoisotopic mass
- 208.0363179
Names & identifiers
- Preferred name
- acetamido-CNU
- IUPAC
- 1-acetamido-3-(2-chloroethyl)-1-nitrosourea
- English name
- acetamido-CNU
- Molecular formula
- C5H9ClN4O3
- Molecular weight
- 208.604
Names & synonyms
Acetamido-cnu102585-46-61-(2-Chloroethyl)-1-nitroso-3-(methylenecarboxamido)ureaDTXSID20145326RefChem:108863DTXCID30678171-acetyl-n-(2-chloroethyl)-3-oxotriazane-2-carboxamideACETIC ACID, 4-(2-CHLOROETHYL)-2-NITROSOSEMICARBAZIDE
Database identifiers
- CAS
102585-46-6- PubChem CID
- 59599
- DTXSID
DTXSID20145326- Nikkaji
- J79.099K
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
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Compound notes
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