1,3-Bis(2-chloroethyl)-5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
Basic information
- CAS
57563-04-9- Standard SMILES
CCCC(C)C1(CC)C(=O)N(CCCl)C(=O)N(CCCl)C1=O- InChIKey
ZUSNQGQLFFFXNU-UHFFFAOYSA-N- Molecular formula
- C15H24Cl2N2O3
- Average molar mass
- 351.3 g/mol
- Monoisotopic mass
- 350.116398
Names & identifiers
- Preferred name
- 1,3-Bis(2-chloroethyl)-5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
- IUPAC
- 1,3-bis(2-chloroethyl)-5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
Names & synonyms
57563-04-9NSC2788851,3-bis(2-chloroethyl)-5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trioneDTXSID00313945NSC-2788851,3-Bis(2-chloroethyl)-5-ethyl-5-(pentan-2-yl)-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
57563-04-9- PubChem CID
- 322270
- DTXSID
DTXSID00313945
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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