Basic information
- CAS
31755-19-8- Standard SMILES
CCCN1CCCC(OC(=O)Nc2c(C)cccc2C)C1- InChIKey
YCUIRUPTFLLVAU-UHFFFAOYSA-N- Molecular formula
- C17H26N2O2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.19942808
Names & identifiers
- Preferred name
- 1-Propylpiperidin-3-yl hydrogen (2,6-dimethylphenyl)carbonimidate
- IUPAC
- (1-propylpiperidin-3-yl) N-(2,6-dimethylphenyl)carbamate
- English name
- N-(2,6-Dimethylphenyl)carbamic acid 1-propyl-3-piperidinyl ester
- Molecular formula
- C17H26N2O2
- Molecular weight
- 290.4
Names & synonyms
31755-19-8DTXSID709536951-Propylpiperidin-3-yl hydrogen (2,6-dimethylphenyl)carbonimidateRefChem:1057029DTXCID401381740BRN 1543293N-Propyl-3-piperidyl 2,6-dimethylphenylcarbamateN-Propyl-3-piperidinyl 2,6-dimethylcarbanilate2,6-Dimethylcarbanilic acid, N-propyl-3-piperidinyl esterCARBANILIC ACID, 2,6-DIMETHYL-, N-PROPYL-3-PIPERIDINYL ESTERN-(2,6-Dimethylphenyl)carbamic acid 1-propyl-3-piperidinyl esterCarbamic acid, (2,6-dimethylphenyl)-, 1-propyl-3-piperidinyl ester (9CI)
Database identifiers
- CAS
31755-19-8- PubChem CID
- 35900
- DTXSID
DTXSID70953695- Nikkaji
- J42.842F
Properties
Computed structural properties
- XLogP
- 3.7
- 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
- 325
Physicochemical properties
- Boiling point
- 361.9 · 361.9±42.0 °C(Predicted)
- Density
- 1.08 · 1.08±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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