Basic information
- CAS
74606-68-1- Standard SMILES
O=C1NC(=O)C2(CC3CCCC(C2)N3CCCl)N1- InChIKey
DOQJTPJTPJIQJJ-UHFFFAOYSA-N- Molecular formula
- C12H18ClN3O2
- Average molar mass
- 271.74 g/mol
- Monoisotopic mass
- 271.1087545
Names & identifiers
- Preferred name
- 9-(2-Chloroethyl)spiro[9-azabicyclo[3.3.1]nonane-3,5'-imidazolidine]-2',4'-dione
- IUPAC
- 9-(2-chloroethyl)spiro[9-azabicyclo[3.3.1]nonane-3,5'-imidazolidine]-2',4'-dione
Names & synonyms
74606-68-1NSC3662059-(2-chloroethyl)spiro[9-azabicyclo[3.3.1]nonane-3,5'-imidazolidine]-2',4'-dioneDTXSID50331098NSC-3662059-(2-Chloroethyl)spiro[9-azabicyclo[3.3.1]nonane-3,4'-imidazolidine]-2',5'-dioneSpiro[9-azabicyclo[3.3.1]nonane-3,5'-dione, 9-(2-chloroethyl)-, monohydrochloride
Database identifiers
- CAS
74606-68-1- PubChem CID
- 435236
- DTXSID
DTXSID50331098
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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