- InChI
- InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
- InChI Key
- PJMPHNIQZUBGLI-UHFFFAOYSA-N
- Formula
- C22H28N2O
- SMILES
-
CCC(=O)N(c1ccccc1)C1CCN(CCc2cc
ccc2)CC1 - Molecular Weight1
- 336.47
- CAS
- 437-38-7
- Other Names
-
- 1-(2-Phenylethyl)-4-(N-propananilido)piperidine
- 1-Phenethyl-4-(N-Phenylpropionamido)piperidine
- 1-Phenethyl-4-N-propionylanilinopiperidine
- Duragesic
- Fentanest
- Fentanil
- Fentora
- Matrifen
- N-(1-Phenylethyl-4-piperidinyl)propionanilide
- N-Phenethyl-4-(N-propionylanilino)piperidine
- N-phenyl-N[1-(2-phenylethyl)-4-piperidinyl]propanamide (fentanyl)
- Phentanyl
- Propanamide, N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]-
- Propionanilide, N-(1-phenethyl-4-piperidyl)-
- R 4263
- Sentonil
- Sublimase
- Sublimaze
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 30.10 | kJ/mol | Vapor P... |
| ΔsubH° | 144.60 ± 7.20 | kJ/mol | NIST |
| log10WS | -4.69 | Crippen Calculated Property | |
| logPoct/wat | 4.137 | Crippen Calculated Property | |
| McVol | 283.990 | ml/mol | McGowan Calculated Property |
| Inp | [2681.00; 2757.00] |
|
|
| Inp | 2725.00 | NIST | |
| Inp | 2701.00 | NIST | |
| Inp | 2701.00 | NIST | |
| Inp | Outlier 2681.00 | NIST | |
| Inp | 2720.00 | NIST | |
| Inp | Outlier 2757.00 | NIST | |
| Inp | 2718.00 | NIST | |
| Inp | 2730.00 | NIST | |
| Inp | 2730.00 | NIST | |
| Inp | 2720.00 | NIST | |
| Inp | 2718.00 | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [22.51; 30.10] | kJ/mol | [357.20; 358.30] |
|
| ΔfusH | 22.51 | kJ/mol | 357.20 | NIST |
| ΔfusH | 30.10 | kJ/mol | 358.30 | NIST |
| ΔvapH | 107.20 ± 4.20 | kJ/mol | 458.00 | NIST |
Similar Compounds
Find more compounds similar to Fentanyl.
Sources
- Crippen Method
- Crippen Method
- Vapor Pressure and Enthalpy of Vaporization of Fentanyl
- McGowan Method
- NIST Webbook
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.