4-Ethoxybenzoic acid 2-(isopropylamino)ethyl ester
Basic information
- CAS
123354-93-8- Standard SMILES
CCOc1ccc(C(=O)OCCNC(C)C)cc1- InChIKey
IHSIQLCMWPVNCC-UHFFFAOYSA-N- Molecular formula
- C14H21NO3
- Average molar mass
- 251.32 g/mol
- Monoisotopic mass
- 251.15214353
Overview
RN refers to HCl; structure given in first source
Names & identifiers
- Preferred name
- 4-Ethoxybenzoic acid 2-(isopropylamino)ethyl ester
- IUPAC
- 2-(propan-2-ylamino)ethyl 4-ethoxybenzoate
- English name
- 4-ethoxybenzoic acid 2-(isopropylamino)ethyl ester
- Molecular weight
- 0
Names & synonyms
Ebz-ipae123354-93-84-Ethoxybenzoic acid 2-(isopropylamino)ethyl esterDTXSID40153983RefChem:98838DTXCID90764742-((1-Methylethyl)amino)ethyl 4-ethoxybenzoate2-[(Propan-2-yl)amino]ethyl 4-ethoxybenzoateBenzoic acid, 4-ethoxy-, 2-((1-methylethyl)amino)ethyl ester
Database identifiers
- CAS
123354-93-8- PubChem CID
- 56387
- DTXSID
DTXSID40153983
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 235
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Related reactions
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Compound notes
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