Basic information
- CAS
63765-96-8- Standard SMILES
CC1(C)NC(=O)N(CCCOCCl)C1=O- InChIKey
CSSHCBTXUKLVBH-UHFFFAOYSA-N- Molecular formula
- C9H15ClN2O3
- Average molar mass
- 234.68 g/mol
- Monoisotopic mass
- 234.07712
Names & identifiers
- Preferred name
- Hydantoin, 3-(3-chloromethoxypropyl)-5,5-dimethyl-
- IUPAC
- 3-[3-(chloromethoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
- English name
- 3-[3-(Chloromethyloxy)propyl]-5,5-dimethylhydantoin
- Molecular formula
- C9H15ClN2O3
- Molecular weight
- 234.68
Names & synonyms
63765-96-83-(3-Chloromethoxypropyl)-5,5-dimethylhydantoinHYDANTOIN, 3-(3-CHLOROMETHOXYPROPYL)-5,5-DIMETHYL-DTXSID50213209RefChem:347912DTXCID001357003-[3-(chloromethoxy)propyl]-5,5-dimethylimidazolidine-2,4-dioneDB-3044013-[3-(Chloromethyloxy)propyl ]-5,5-dimethylhydantoin3-[3-(Chloromethyloxy)propyl]-5,5-dimethylhydantoin2,4-Imidazolidinedione, 3-[3-(chloromethoxy)propyl]-5,5-dimethyl-
Database identifiers
- CAS
63765-96-8- PubChem CID
- 44699
- DTXSID
DTXSID50213209- Nikkaji
- J77.709I
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- pka
- 8.72 · 8.72±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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