Carbanilic acid, o-ethoxy-, 2-hydroxy-3-piperidinopropyl ester, hydrochloride
Basic information
- CAS
98657-41-1- Standard SMILES
CCOc1ccccc1NC(=O)OCC(O)C[NH+]1CCCCC1.[Cl-]- InChIKey
IHLXXFUFWXBZCJ-UHFFFAOYSA-N- Molecular formula
- C17H27ClN2O4
- Average molar mass
- 358.9 g/mol
- Monoisotopic mass
- 358.165935
Names & identifiers
- Preferred name
- Carbanilic acid, o-ethoxy-, 2-hydroxy-3-piperidinopropyl ester, hydrochloride
- IUPAC
- (2-hydroxy-3-piperidin-1-ium-1-ylpropyl) N-(2-ethoxyphenyl)carbamate chloride
Names & synonyms
CARBANILIC ACID, o-ETHOXY-, 2-HYDROXY-3-PIPERIDINOPROPYL ESTER, HYDROCHLORIDE98657-41-1RefChem:1081113o-Ethoxycarbanilic acid 2-hydroxy-3-piperidinopropyl ester hydrochloride3-Piperidino-1,2-propanediol 1-(o-ethoxycarbanilate) hydrochloride1,2-Propanediol, 3-piperidino-, 1-o-ethoxycarbanilate, hydrochloride
Database identifiers
- CAS
98657-41-1- PubChem CID
- 57431
Properties
Computed structural properties
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 347
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Compound notes
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