Basic information
- CAS
92727-03-2- Standard SMILES
CCOc1ccc(C(=O)OCC[NH2+]CC(C)C)cc1.[Cl-]- InChIKey
ZAOTVNOZZMICRU-UHFFFAOYSA-N- Molecular formula
- C15H24ClNO3
- Average molar mass
- 301.81 g/mol
- Monoisotopic mass
- 301.1444713
Names & identifiers
- Preferred name
- Benzoic acid, p-ethoxy-, 2-(isobutylamino)ethyl ester, hydrochloride
- IUPAC
- 2-(4-ethoxybenzoyl)oxyethyl-(2-methylpropyl)azanium chloride
Names & synonyms
p-Ethoxybenzoic acid 2-(isobutylamino)ethyl ester hydrochlorideBENZOIC ACID, p-ETHOXY-, 2-(ISOBUTYLAMINO)ETHYL ESTER, HYDROCHLORIDE92727-03-2RefChem:327934
Database identifiers
- CAS
92727-03-2- PubChem CID
- 56483
Properties
Computed structural properties
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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