Chemical Properties of Fentanyl (CAS 437-38-7)

Fentanyl

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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(CCc2ccccc2)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

Physical Properties

Property Value Unit Source
Δfus 30.10 ± 3.00 kJ/mol Vapor P...
Δsub 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]   Show Hide
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
Tfus 358.30 K Vapor P...

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH [22.51; 30.10] kJ/mol [357.20; 358.30] Show Hide
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
Pvap [1.30e-03; 0.10] kPa [423.15; 493.15] Show Hide
Pvap 1.30e-03 ± 1.00e-03 kPa 423.15 Vapor P...
Pvap 3.60e-03 ± 1.00e-03 kPa 433.15 Vapor P...
Pvap 6.90e-03 ± 1.00e-03 kPa 443.15 Vapor P...
Pvap 0.01 ± 0.00 kPa 453.15 Vapor P...
Pvap 0.02 ± 0.00 kPa 463.15 Vapor P...
Pvap 0.04 ± 0.00 kPa 473.15 Vapor P...
Pvap 0.07 ± 0.00 kPa 483.15 Vapor P...
Pvap 0.10 ± 0.00 kPa 493.15 Vapor P...

Similar Compounds

Para-fluorofentanyl. Methyl-3-fentanyl. 4'-Chloro fentanyl. Acetanilide, N-(1-phenethyl-4-piperidyl)-. Isobutanoyl fentanyl. 4'-Chloro butanoyl fentanyl. Acetyl 4'-fluorofentanyl. 4''-Methoxy fentanyl. 3-Methylfentanyl. 4'-Methoxy fentanyl. «alpha»-Methylfentanyl. «alpha»-Methyl butanoyl fentanyl. «alpha»-Methyl isobutanoyl fentanyl. Isobutanoyl 4'-chloro fentanyl. Butanoyl 4'-fluoro fentanyl.

Find more compounds similar to Fentanyl.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.