Basic information
- CAS
77985-29-6- Standard SMILES
Cc1cccc(C)c1OC(=O)NCC[NH+]1CCCCC1.[Cl-]- InChIKey
SCWVXURMERNGGN-UHFFFAOYSA-N- Molecular formula
- C16H25ClN2O2
- Average molar mass
- 312.83 g/mol
- Monoisotopic mass
- 312.1604557
Names & identifiers
- Preferred name
- Carbamic acid, N-(2-(piperidino)ethyl)-, 2,6-xylyl ester, hydrochloride
- IUPAC
- (2,6-dimethylphenyl) N-(2-piperidin-1-ium-1-ylethyl)carbamate chloride
Names & synonyms
C 5310N-(2-(Piperidino)ethyl)carbamic acid, 2,6-xylyl ester hydrochlorideCARBAMIC ACID, N-(2-(PIPERIDINO)ETHYL)-, 2,6-XYLYL ESTER, HYDROCHLORIDE77985-29-6RefChem:332634
Database identifiers
- CAS
77985-29-6- PubChem CID
- 54036
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
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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