Carbanilic acid, 2,6-dimethyl-, 2-hydroxy-3-piperidinopropyl ester, carbanilate, hydrochloride
Basic information
- CAS
101520-28-9- Standard SMILES
Cc1cccc(C)c1NC(=O)OCC(C[NH+]1CCCCC1)OC(=O)Nc1ccccc1.[Cl-]- InChIKey
ZLZVGUTYRXFXBQ-UHFFFAOYSA-N- Molecular formula
- C24H32ClN3O4
- Average molar mass
- 462 g/mol
- Monoisotopic mass
- 461.2081342
Names & identifiers
- Preferred name
- Carbanilic acid, 2,6-dimethyl-, 2-hydroxy-3-piperidinopropyl ester, carbanilate, hydrochloride
- IUPAC
- [2-(phenylcarbamoyloxy)-3-piperidin-1-ium-1-ylpropyl] N-(2,6-dimethylphenyl)carbamate chloride
Names & synonyms
101520-28-9Carbanilic acid, 2,6-dimethyl-, 2-hydroxy-3-piperidinopropyl ester, carbanilate, hydrochlorideRefChem:10810482,6-Dimethylcarbanilic acid 2-hydroxy-3-piperidinopropyl ester carbanilate hydrochloride
Database identifiers
- CAS
101520-28-9- PubChem CID
- 58498
Properties
Computed structural properties
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 551
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Compound notes
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