Basic information
- CAS
100311-12-4- Standard SMILES
CCCOc1cc(C(=O)OCC[NH+](CC)CC)ccc1N.[Cl-]- InChIKey
SENDDLZRSZXUBH-UHFFFAOYSA-N- Molecular formula
- C16H27ClN2O3
- Average molar mass
- 330.8 g/mol
- Monoisotopic mass
- 330.1710204
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 4-amino-3-propoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- 2-(4-amino-3-propoxybenzoyl)oxyethyl-diethylazanium chloride
Names & synonyms
DTXSID009053642-(Diethylamino)ethyl 4-amino-3-propoxybenzoate--hydrogen chloride (1/1)RefChem:1061682DTXCID701334467100311-12-42-Diethylaminoethyl 4-amino-3-propoxybenzoate hydrochloride4-Amino-3-propoxy-benzoic acid 2-(diethylamino)ethyl ester hydrochlorideBENZOIC ACID, 4-AMINO-3-PROPOXY-, 2-(DIETHYLAMINO)ETHYL ESTER, MONOHYDROCHLORIDE
Database identifiers
- CAS
100311-12-4- PubChem CID
- 57734
Properties
Computed structural properties
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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