Basic information
- CAS
98486-43-2- Standard SMILES
O=C(O)C[N+]([O-])(CCCl)CCCl.[Cl-]- InChIKey
NEXSZEBUGGRUDC-UHFFFAOYSA-M- Molecular formula
- C6H11Cl3NO3-
- Average molar mass
- 251.5 g/mol
- Monoisotopic mass
- 249.980451
Names & identifiers
- Preferred name
- Glycine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride
- IUPAC
- N,N-bis(2-chloroethyl)-2-hydroxy-2-oxoethanamine oxide chloride
Names & synonyms
GLYCINE, N,N-BIS(2-CHLOROETHYL)-, N-OXIDE, HYDROCHLORIDE98486-43-2RefChem:1085990N,N-Bis(2-chloroethyl)glycine N-oxide hydrochloride
Database identifiers
- CAS
98486-43-2- PubChem CID
- 57403
Properties
Computed structural properties
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- -1
- Complexity
- 148
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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