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Basic information
- CAS
64046-49-7- Standard SMILES
Cc1cc(Cl)ccc1OCC(=O)OCC[NH+](C)C.[Cl-]- InChIKey
FVIGHDKAWKVPOT-UHFFFAOYSA-N- Molecular formula
- C13H19Cl2NO3
- Average molar mass
- 308.2 g/mol
- Monoisotopic mass
- 307.0741989
Names & identifiers
- Preferred name
- Acetic acid, 2-(4-chloro-2-methylphenoxy)-, 2-(dimethylamino)ethyl ester, hydrochloride (1:1)
- IUPAC
- 2-[2-(4-chloro-2-methylphenoxy)acetyl]oxyethyl-dimethylazanium chloride
Names & synonyms
64046-49-7RefChem:1075723Acetic acid, 2-(4-chloro-2-methylphenoxy)-, 2-(dimethylamino)ethyl ester, hydrochloride (1:1)(4-Chloro-o-tolyloxy)acetic acid 2-dimethylaminoethyl ester hydrochlorideACETIC ACID, (4-CHLORO-o-TOLYLOXY)-, 2-DIMETHYLAMINOETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
64046-49-7- PubChem CID
- 46633
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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