Basic information
- CAS
23959-22-0- Standard SMILES
CCCOc1c(OC)cccc1C(=O)OCC[NH+](CC)CC.[Cl-]- InChIKey
QUIQLMJJIBJLJL-UHFFFAOYSA-N- Molecular formula
- C17H28ClNO4
- Average molar mass
- 345.9 g/mol
- Monoisotopic mass
- 345.1706861
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 3-methoxy-2-propoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- diethyl-[2-(3-methoxy-2-propoxybenzoyl)oxyethyl]azanium chloride
Names & synonyms
23959-22-0DTXSID309467852-(Diethylamino)ethyl 3-methoxy-2-propoxybenzoate--hydrogen chloride (1/1)RefChem:1061673DTXCID101375059BENZOIC ACID, 3-METHOXY-2-PROPOXY-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE2-Propoxy-3-methoxybenzoic acid hydrochloride, 2-(diethylamino)ethyl ester
Database identifiers
- CAS
23959-22-0- PubChem CID
- 32165
Properties
Computed structural properties
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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