Basic information
- CAS
77985-27-4- Standard SMILES
Cc1cccc(Cl)c1OC(=O)NCC[NH+]1CCCCC1.[Cl-]- InChIKey
GDONSJDLUTWBHJ-UHFFFAOYSA-N- Molecular formula
- C15H22Cl2N2O2
- Average molar mass
- 333.2 g/mol
- Monoisotopic mass
- 332.1058333
Names & identifiers
- Preferred name
- Carbamic acid, N-(2-piperidinoethyl)-, 6-chloro-o-tolyl ester, hydrochloride
- IUPAC
- (2-chloro-6-methylphenyl) N-(2-piperidin-1-ium-1-ylethyl)carbamate chloride
Names & synonyms
C 530977985-27-4N-(2-Piperidinoethyl)carbamic acid, 6-chloro-o-tolyl ester, hydrochlorideCARBAMIC ACID, N-(2-PIPERIDINOETHYL)-, 6-CHLORO-o-TOLYL ESTER, HYDROCHLORIDERefChem:332645
Database identifiers
- CAS
77985-27-4- PubChem CID
- 54032
Properties
Computed structural properties
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…