Basic information
- CAS
31755-14-3- Standard SMILES
Cc1cccc(C)c1NC(=O)OC1CCCN(C)C1- InChIKey
YYEAOJQVTHGSAL-UHFFFAOYSA-N- Molecular formula
- C15H22N2O2
- Average molar mass
- 262.35 g/mol
- Monoisotopic mass
- 262.16812795
Names & identifiers
- Preferred name
- Carbanilic acid, 2,6-dimethyl-, N-methyl-3-piperidinyl ester
- IUPAC
- (1-methylpiperidin-3-yl) N-(2,6-dimethylphenyl)carbamate
- English name
- N-(2,6-Dimethylphenyl)carbamic acid 1-methyl-3-piperidinyl ester
- Molecular formula
- C15H22N2O2
- Molecular weight
- 262.35
Names & synonyms
31755-14-3CARBANILIC ACID, 2,6-DIMETHYL-, N-METHYL-3-PIPERIDINYL ESTERRefChem:1081055BRN 1540600N-Methyl-3-piperidyl 2,6-dimethylphenylcarbamateN-Methyl-3-piperidinyl 2,6-dimethylcarbanilate2,6-Dimethylcarbanilic acid, N-methyl-3-piperidinyl esterDTXSID30953691N-(2,6-Dimethylphenyl)carbamic acid 1-methyl-3-piperidinyl ester1-Methylpiperidin-3-yl hydrogen (2,6-dimethylphenyl)carbonimidateCarbamic acid, (2,6-dimethylphenyl)-, 1-methyl-3-piperidinyl ester (9CI)
Database identifiers
- CAS
31755-14-3- PubChem CID
- 35896
- DTXSID
DTXSID30953691- Nikkaji
- J42.840J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Boiling point
- 330.3 · 330.3±42.0 °C(Predicted)
- Density
- 1.11 · 1.11±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
Loading…