Basic information
- CAS
31755-17-6- Standard SMILES
CCN1CCCC(OC(=O)Nc2c(C)cccc2C)C1- InChIKey
GQBBRMZCLIBJIM-UHFFFAOYSA-N- Molecular formula
- C16H24N2O2
- Average molar mass
- 276.37 g/mol
- Monoisotopic mass
- 276.18377801
Names & identifiers
- Preferred name
- Carbanilic acid, 2,6-dimethyl-, N-ethyl-3-piperidinyl ester
- IUPAC
- (1-ethylpiperidin-3-yl) N-(2,6-dimethylphenyl)carbamate
- English name
- N-(2,6-Dimethylphenyl)carbamic acid 1-ethyl-3-piperidinyl ester
- Molecular formula
- C16H24N2O2
- Molecular weight
- 276.37
Names & synonyms
31755-17-6CARBANILIC ACID, 2,6-DIMETHYL-, N-ETHYL-3-PIPERIDINYL ESTERRefChem:1081052N-Ethyl-3-piperidyl 2,6-dimethylphenylcarbamateBRN 1541484N-Ethyl-3-piperidinyl 2,6-dimethylcarbanilate2,6-Dimethylcarbanilic acid, N-ethyl-3-piperidinyl esterDTXSID50953693N-(2,6-Dimethylphenyl)carbamic acid 1-ethyl-3-piperidinyl ester1-Ethylpiperidin-3-yl hydrogen (2,6-dimethylphenyl)carbonimidateCarbamic acid, (2,6-dimethylphenyl)-, 1-ethyl-3-piperidinyl ester (9CI)
Database identifiers
- CAS
31755-17-6- PubChem CID
- 35898
- DTXSID
DTXSID50953693- Nikkaji
- J42.838H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Boiling point
- 346.4 · 346.4±42.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 13.59 · 13.59±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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