Chemical Properties of Fentanyl, 4-N-undecyl analogue

Fentanyl, 4-N-undecyl analogue

InChI
InChI=1S/C25H42N2O/c1-3-5-6-7-8-9-10-11-15-20-26-21-18-24(19-22-26)27(25(28)4-2)23-16-13-12-14-17-23/h12-14,16-17,24H,3-11,15,18-22H2,1-2H3
InChI Key
BBKDDKZENHVNFZ-UHFFFAOYSA-N
Formula
C25H42N2O
SMILES
CCCCCCCCCCCN1CCC(N(C(=O)CC)c2ccccc2)CC1
Molecular Weight1
386.61
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 6.425 Crippen Calculated Property
McVol 350.020 ml/mol McGowan Calculated Property
Inp [2959.00; 2991.00]   Show Hide
Inp 2976.00 NIST
Inp 2979.00 NIST
Inp 2959.00 NIST
Inp 2974.00 NIST
Inp 2976.00 NIST
Inp 2977.00 NIST
Inp 2986.00 NIST
Inp 2991.00 NIST
Inp 2977.00 NIST
Inp 2979.00 NIST
Inp 2980.00 NIST
Inp 2959.00 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-heptyl analogue. Fentanyl, 4-N-octyl analogue. Fentanyl, 4-N-nonyl analogue. Fentanyl, 4-N-decyl analogue. Fentanyl, 4-N-hexyl 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-undecyl 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.