Basic information
- CAS
106976-63-0- Standard SMILES
C[N+]1(CC#CCN2CCCC2=O)CC1.[Br-]- InChIKey
FGEZSBPYCZHQNH-UHFFFAOYSA-M- Molecular formula
- C11H17BrN2O
- Average molar mass
- 273.17 g/mol
- Monoisotopic mass
- 272.05243
Names & identifiers
- Preferred name
- Aziridinium, 1-methyl-1-(4-(2-oxo-1-pyrrolidinyl)-2-butynyl)-, bromide
- IUPAC
- 1-[4-(1-methylaziridin-1-ium-1-yl)but-2-ynyl]pyrrolidin-2-one bromide
- English name
- BR 401 A
- Molecular formula
- C11H17N2O.Br
- Molecular weight
- 273.172
Names & synonyms
106976-63-0BR 401 A1-Methyl-1-(4-(2-oxo-1-pyrrolidinyl)-2-butynyl)aziridinium bromideAZIRIDINIUM, 1-METHYL-1-(4-(2-OXO-1-PYRROLIDINYL)-2-BUTYNYL)-, BROMIDERefChem:3204361-Methyl-1-(4-(2-oxopyrrolidin-1-yl)but-2-yn-1-yl)aziridin-1-ium bromide1-METHYL-1-[4-(2-OXOPYRROLIDIN-1-YL)BUT-2-YN-1-YL]AZIRIDIN-1-IUM BROMIDE1-[4-(1-methylaziridin-1-ium-1-yl)but-2-ynyl]pyrrolidin-2-one bromideCHEMBL160553DTXSID409101991-[4-(1-methylaziridin-1-ium-1-yl)but-2-ynyl]pyrrolidin-2-one;bromide
Database identifiers
- CAS
106976-63-0- PubChem CID
- 60173
- DTXSID
DTXSID40910199- ChEMBL
CHEMBL160553
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 306
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…