Basic information
- CAS
77985-28-5- Standard SMILES
Cc1cc(C)c(OC(=O)NCC[NH+]2CCCCC2)c(C)c1.[Cl-]- InChIKey
AYKLEDWGNCRCFV-UHFFFAOYSA-N- Molecular formula
- C17H27ClN2O2
- Average molar mass
- 326.9 g/mol
- Monoisotopic mass
- 326.1761058
Names & identifiers
- Preferred name
- Carbamic acid, N-(2-piperidinoethyl)-, mesityl ester, hydrochloride
- IUPAC
- (2,4,6-trimethylphenyl) N-(2-piperidin-1-ium-1-ylethyl)carbamate chloride
Names & synonyms
C 531177985-28-5N-(2-Piperidinoethyl)carbamic acid, mesityl ester, hydrochlorideCARBAMIC ACID, N-(2-PIPERIDINOETHYL)-, MESITYL ESTER, HYDROCHLORIDERefChem:332646
Database identifiers
- CAS
77985-28-5- PubChem CID
- 54034
Properties
Computed structural properties
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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