Basic information
- CAS
58921-08-7- Standard SMILES
CC(=O)OCC[N+]1(C)CC1- InChIKey
WJLADXFPIBROFS-UHFFFAOYSA-N- Molecular formula
- C7H14NO2+
- Average molar mass
- 144.19 g/mol
- Monoisotopic mass
- 144.10245369
Names & identifiers
- Preferred name
- Acetylcholine mustard aziridinium
- IUPAC
- 2-(1-methylaziridin-1-ium-1-yl)ethyl acetate
Names & synonyms
Acetylcholine mustard aziridinium58921-08-7DTXSID90207667RefChem:109126DTXCID40130158Aziridinium, 1-(2-(acetyloxy)ethyl)-1-methyl-2-(1-methylaziridin-1-ium-1-yl)ethyl acetate1-[2-(ACETYLOXY)ETHYL]-1-METHYLAZIRIDIN-1-IUM
Database identifiers
- CAS
58921-08-7- PubChem CID
- 37575
- DTXSID
DTXSID90207667
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 1
- Complexity
- 141
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…