Basic information
- CAS
54112-82-2- Standard SMILES
CC[NH+](CCCC(C)Cl)CCOC(=O)c1cc(OC)c(OC)c(OC)c1.[Cl-]- InChIKey
DHYMJAYKFZZOLW-UHFFFAOYSA-N- Molecular formula
- C19H31Cl2NO5
- Average molar mass
- 424.4 g/mol
- Monoisotopic mass
- 423.1579285
Names & identifiers
- Preferred name
- Benzoic acid, 3,4,5-trimethoxy-, 2-((4-chloropentyl)ethylamino)ethyl ester, hydrochloride
- IUPAC
- 4-chloropentyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride
Names & synonyms
Benzoic acid, 3,4,5-trimethoxy-, 2-((4-chloropentyl)ethylamino)ethyl ester, hydrochloride3,4,5-Trimethoxybenzoic acid 2-((4-chloropentyl)ethylamino)ethyl ester hydrochloride54112-82-2RefChem:326995
Database identifiers
- CAS
54112-82-2- PubChem CID
- 41004
Properties
Computed structural properties
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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