2-(Benzylamino)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1)
Basic information
- CAS
94997-12-3- Standard SMILES
CCOc1ccc(C(=O)OCC[NH2+]Cc2ccccc2)cc1.[Cl-]- InChIKey
OIJJGZFQRXKSAO-UHFFFAOYSA-N- Molecular formula
- C18H22ClNO3
- Average molar mass
- 335.8 g/mol
- Monoisotopic mass
- 335.1288213
Names & identifiers
- Preferred name
- 2-(Benzylamino)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- benzyl-[2-(4-ethoxybenzoyl)oxyethyl]azanium chloride
Names & synonyms
94997-12-3DTXSID509151902-(Benzylamino)ethyl 4-ethoxybenzoate--hydrogen chloride (1/1)RefChem:1061470DTXCID901344169p-Ethoxybenzoic acid 2-(benzylamino)ethyl ester hydrochlorideBENZOIC ACID, p-ETHOXY-, 2-(BENZYLAMINO)ETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
94997-12-3- PubChem CID
- 56840
Properties
Computed structural properties
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 307
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Compound notes
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