Chemical Properties of Fentanyl, 4-N-hexyl analogue

Fentanyl, 4-N-hexyl analogue

InChI
InChI=1S/C20H32N2O/c1-3-5-6-10-15-21-16-13-19(14-17-21)22(20(23)4-2)18-11-8-7-9-12-18/h7-9,11-12,19H,3-6,10,13-17H2,1-2H3
InChI Key
VUCBDKQCPHDWDV-UHFFFAOYSA-N
Formula
C20H32N2O
SMILES
CCCCCCN1CCC(N(C(=O)CC)c2ccccc2)CC1
Molecular Weight1
316.49
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
logPoct/wat 4.474 Crippen Calculated Property
McVol 279.570 ml/mol McGowan Calculated Property
Inp [2450.00; 2490.00]   Show Hide
Inp 2450.00 NIST
Inp 2450.00 NIST
Inp 2478.00 NIST
Inp 2470.00 NIST
Inp 2473.00 NIST
Inp 2490.00 NIST
Inp 2472.00 NIST
Inp 2474.00 NIST
Inp 2481.00 NIST
Inp 2470.00 NIST
Inp 2474.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Fentanyl, 4-N-decyl analogue. Fentanyl, 4-N-octyl analogue. Fentanyl, 4-N-heptyl analogue. Fentanyl, 4-N-undecyl analogue. Fentanyl, 4-N-nonyl analogue. Fentanyl, 4-N-pentyl analogue. Fentanyl, 4-N-butyl analogue. Fentanyl, 4-N-(5-cyanopentyl) analogue. Fentanyl, 4-N-propyl analogue. N-Methylfentanyl. Fentanyl, 4-N-(2-cyanoethyl) analogue. Fentanyl, 4-N-(4-cyanobutyl) analogue. Fentanyl, 4-N-propargyl analogue. Fentanyl, 4-N-(3-butenyl) analogue. N-Methyl butanoyl fentanyl.

Find more compounds similar to Fentanyl, 4-N-hexyl analogue.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.