Basic information
- CAS
76986-85-1- Standard SMILES
C[N+](C)(C)CCNC(=O)CBr.[Br-]- InChIKey
PMWDVHBYZSEYBC-UHFFFAOYSA-N- Molecular formula
- C7H16Br2N2O
- Average molar mass
- 304.02 g/mol
- Monoisotopic mass
- 301.96294
Overview
an active-site directed reagent for disulfide bonds; RN given refers to bromide; structure
Names & identifiers
- Preferred name
- Bromoacetylcholamine
- IUPAC
- 2-[(2-bromoacetyl)amino]ethyl-trimethylazanium bromide
Names & synonyms
BromoacetylcholamineBACBR76986-85-1Ethanaminium, 2-((bromoacetyl)amino)-N,N,N-trimethyl-RefChem:121540Bromoacetylcholamine bromide2-[(2-bromoacetyl)amino]ethyl-trimethylazanium;bromide
Database identifiers
- CAS
76986-85-1- PubChem CID
- 192097
Properties
Computed structural properties
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 131
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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