Basic information
- CAS
31755-20-1- Standard SMILES
CCCN1CCCC(OC(=O)Nc2c(C)cccc2Cl)C1- InChIKey
RBEUQTCXHILJSS-UHFFFAOYSA-N- Molecular formula
- C16H23ClN2O2
- Average molar mass
- 310.82 g/mol
- Monoisotopic mass
- 310.1448057
Names & identifiers
- Preferred name
- Carbanilic acid, 6-chloro-2-methyl-, N-propyl-3-piperidinyl ester
- IUPAC
- (1-propylpiperidin-3-yl) N-(2-chloro-6-methylphenyl)carbamate
- English name
- N-(2-Chloro-6-methylphenyl)carbamic acid 1-propyl-3-piperidinyl ester
- Molecular formula
- C16H23ClN2O2
- Molecular weight
- 310.82
Names & synonyms
31755-20-1CARBANILIC ACID, 6-CHLORO-2-METHYL-, N-PROPYL-3-PIPERIDINYL ESTERRefChem:1081085BRN 1544966N-Propyl-3-piperidyl 2-chloro-6-methylphenylcarbamate6-Chloro-2-methylcarbanilic acid, N-propyl-3-piperidinyl esterDTXSID30953696N-(2-Chloro-6-methylphenyl)carbamic acid 1-propyl-3-piperidinyl ester1-Propylpiperidin-3-yl hydrogen (2-chloro-6-methylphenyl)carbonimidateCarbamic acid, (2-chloro-6-methylphenyl)-, 1-propyl-3-piperidinyl ester (9CI)
Database identifiers
- CAS
31755-20-1- PubChem CID
- 35901
- DTXSID
DTXSID30953696- Nikkaji
- J42.832I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 373.9 · 373.9±42.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 12.65 · 12.65±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…