Ethylenimonium, ethyl(2-chloroethyl)-, picrylsulfonate
Basic information
- CAS
63918-55-8- Standard SMILES
CCC1C[NH+]1CCCl.O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)[O-])c([N+](=O)[O-])c1- InChIKey
PWYBTCCLIGLZDR-UHFFFAOYSA-N- Molecular formula
- C12H15ClN4O9S
- Average molar mass
- 426.79 g/mol
- Monoisotopic mass
- 426.0248269
Names & identifiers
- Preferred name
- Ethylenimonium, ethyl(2-chloroethyl)-, picrylsulfonate
- IUPAC
- 1-(2-chloroethyl)-2-ethylaziridin-1-ium;2,4,6-trinitrobenzenesulfonate
Names & synonyms
ETHYLENIMONIUM, ETHYL(2-CHLOROETHYL)-, PICRYLSULFONATE63918-55-8RefChem:1085227Ethyl-beta-chloroethyl-ethylenimonium picrylsulfonate1-Ethyl-1-(beta-chloroethyl)ethylenimonium picrylsulfonate
Database identifiers
- CAS
63918-55-8- PubChem CID
- 45432
Properties
Computed structural properties
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 532
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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