Chemical Properties of Amlodipine (CAS 88150-42-9)

Amlodipine

InChI
InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3
InChI Key
HTIQEAQVCYTUBX-UHFFFAOYSA-N
Formula
C20H25ClN2O5
SMILES
CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl
Molecular Weight1
408.88
CAS
88150-42-9
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Physical Properties

Property Value Unit Source
ΔfusH° 62.84 kJ/mol Joback Calculated Property
log10WS -3.99 Relay (1.0) Calculated Property
logPoct/wat 2.266 Crippen Calculated Property
McVol 302.390 ml/mol McGowan Calculated Property
Tfus 451.65 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, 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 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [433.15; 950.07] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A8.48740e+01
Coefficient B1.42006e+00
Coefficient C-5.18760e-04
Coefficient D-3.61000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 433.15 J/mol×K 273.00 Calculated Property
Cp,gas 520.73 J/mol×K 353.78 Calculated Property
Cp,gas 601.04 J/mol×K 434.56 Calculated Property
Cp,gas 673.97 J/mol×K 515.33 Calculated Property
Cp,gas 739.40 J/mol×K 596.11 Calculated Property
Cp,gas 797.22 J/mol×K 676.89 Calculated Property
Cp,gas 847.31 J/mol×K 757.67 Calculated Property
Cp,gas 889.55 J/mol×K 838.44 Calculated Property
Cp,gas 923.85 J/mol×K 919.22 Calculated Property
Cp,gas 950.07 J/mol×K 1000.00 Calculated Property

Similar Compounds

Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. OXYCOLCHICINE. AJMALINE, M(HO-), AC. 3-O,6-O,N-Triacetylnormorphine. TCN. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Benzylmorphine. Morphinan, 7,8-didehydro-4,5-epoxy-17-methyl-3,6-bis[(trimethylsilyl)oxy]-, (5«alpha»,6«alpha»)-. Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5«alpha»,6«alpha»)-. Methyldesorphine. Ergocristine. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). DIHYDROERGOKRYPTINE. Nicocodine.

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Sources

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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