Basic information
- CAS
50594-06-4- Standard SMILES
O=C(Nc1ccccc1)OCC[NH+]1CCCCC1.[Cl-]- InChIKey
LUZGNDRQUWIDJJ-UHFFFAOYSA-N- Molecular formula
- C14H21ClN2O2
- Average molar mass
- 284.78 g/mol
- Monoisotopic mass
- 284.1291556
Overview
analog of heptacaine; structure given in first source
Names & identifiers
- Preferred name
- 1-Piperidineethanol, 1-(N-phenylcarbamate), hydrochloride (1:1)
- IUPAC
- 2-piperidin-1-ium-1-ylethyl N-phenylcarbamate chloride
Names & synonyms
2-Piperidinoethyl phenylcarbamate50594-06-4RefChem:9078161-Piperidineethanol, 1-(N-phenylcarbamate), hydrochloride (1:1)2-Piperidinoethyl carbanilate hydrochloride2-piperidin-1-ium-1-ylethyl N-phenylcarbamate;chlorideCARBANILIC ACID, 2-(PIPERIDINOETHYL) ESTER, MONOHYDROCHLORIDE
Database identifiers
- CAS
50594-06-4- PubChem CID
- 39735
Properties
Computed structural properties
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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