Basic information
- CAS
93042-86-5- Standard SMILES
C[NH+](C)CCOC(=O)COc1ccc(Br)cc1.[Cl-]- InChIKey
BUGXYQBXLVCFRA-UHFFFAOYSA-N- Molecular formula
- C12H17BrClNO3
- Average molar mass
- 338.62 g/mol
- Monoisotopic mass
- 337.00803
Names & identifiers
- Preferred name
- 2-(Dimethylamino)ethyl (4-bromophenoxy)acetate--hydrogen chloride (1/1)
- IUPAC
- 2-[2-(4-bromophenoxy)acetyl]oxyethyl-dimethylazanium chloride
Names & synonyms
93042-86-5DTXSID209187542-(Dimethylamino)ethyl (4-bromophenoxy)acetate--hydrogen chloride (1/1)RefChem:1061770DTXCID201347700(p-Bromophenoxy)acetic acid 2-(dimethylamino)ethyl ester hydrochlorideACETIC ACID, (p-BROMOPHENOXY)-, 2-(DIMETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE2-[2-(4-bromophenoxy)acetyl]oxyethyl-dimethylazanium;chloride
Database identifiers
- CAS
93042-86-5- PubChem CID
- 56529
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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