Chemical Properties of Epinephrine (CAS 51-43-4)

Epinephrine

InChI
InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
InChI Key
UCTWMZQNUQWSLP-VIFPVBQESA-N
Formula
C9H13NO3
SMILES
CNCC(O)c1ccc(O)c(O)c1
Molecular Weight1
183.20
CAS
51-43-4
Other Names
  • (-)-3,4-Dihydroxy-a-[2-(methylamino)ethyl]benzyl alcohol
  • (-)-Adrenaline
  • (R)-4-[1-Hydroxy-2-(methylamino)ethyl]-1,2-benzenediol
  • (R)-Adrenaline
  • (R)-Epinephrine
  • 1,2-Benzenediol, 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-
  • 1,2-Benzenediol, 4-[1-hydroxy-2-(methylamino)ethyl]-, (R)-
  • 3,4-Dihydroxy-«alpha»-((methylamino)methyl)benzyl alcohol
  • 4-(1-hydroxy-2-methylaminoethyl)benzene-1,2-diol
  • 51-42-3 (tartrate)
  • Adnephrine
  • Adrenal
  • Adrenalin
  • Adrenalin in Oil
  • Adrenalin-Medihaler
  • Adrenaline
  • Adrenamine
  • Adrenapax
  • Adrenasol
  • Adrenatrate
  • Adrenine
  • Adrenodis
  • Adrenohorma
  • Adrenosan
  • Adrenutol
  • Adrin
  • Antiasthmatique
  • Asmatane mist
  • Asthma meter mist
  • Asthma-nefrin
  • Astmahalin
  • Astminhal
  • Balmadren
  • Benzyl alcohol, 3,4-dihydroxy-«alpha»-[(methylamino)methyl]-, (-)-
  • Bernarenin
  • Biorenine
  • Bosmin
  • Brevirenin
  • Bronkaid
  • Bronkaid Mist
  • Chelafrin
  • Corisol
  • Drenamist
  • Dylephrin
  • Dyspne-Inhal
  • Epifrin
  • Epiglaufrin
  • Epinefrin
  • Epinefrina
  • Epinephran
  • Epirenamine
  • Epirenan
  • Epirenin
  • Eppy
  • Esphygmogenina
  • Exadrin
  • Glaucon
  • Glaucosan
  • Glauposine
  • Glycirenan
  • Haemostasin
  • Haemostatin
  • Hektalin
  • Hemisine
  • Hemostasin
  • Hemostatin
  • Hypernephrin
  • Hyporenin
  • Intranefrin
  • Kidoline
  • L-Adrenaline
  • L-Epinephrine
  • L-Epirenamine
  • L-Methylaminoethanolcatechol
  • Levo-Methylaminoethanolcatechol
  • Levoepinephrine
  • Levorenen
  • Levorenin
  • Levorenine
  • Lyodrin
  • Lyophrin
  • Metanephrin
  • Methylarterenol
  • Mucidrina
  • Myosthenine
  • Mytrate
  • Nephridine
  • Nieraline
  • Paranephrin
  • Primatene Mist
  • R-(-)-Epinephrine
  • RCRA waste number P042
  • Renagladin
  • Renaglandin
  • Renaglandulin
  • Renaleptine
  • Renalina
  • Renoform
  • Renostypricin
  • Renostypticin
  • Renostyptin
  • Scurenaline
  • Simplene
  • Sindrenina
  • Soladren
  • Sphygmogenin
  • Stryptirenal
  • Styptirenal
  • Supracapsulin
  • Supradin
  • Supranefran
  • Supranephrane
  • Supranephrine
  • Supranol
  • Suprarenaline
  • Suprarenin
  • Suprel
  • Surenine
  • Surrenine
  • Sus-phrine
  • Sympathin I
  • Takamina
  • Takamine
  • Tokamina
  • Tonogen
  • Vaponefrin
  • Vasoconstrictine
  • Vasoconstrictor
  • Vasodrine
  • Vasoton
  • Vasotonin
  • l-1-(3,4-Dihydroxyphenyl)-2-methylaminoethanol
  • l-Adrenalin
  • l-Epinephrine (synthetic)
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
ΔfusH° 30.34 kJ/mol Joback Calculated Property
log10WS -0.96 Aq. Solubility Prediction
logPoct/wat 0.351 Crippen Calculated Property
McVol 141.500 ml/mol McGowan Calculated Property
Tfus 484.65 K Aq. Solubility Prediction

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 [201.30; 466.06] 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 A-5.46390e+01
Coefficient B1.20522e+00
Coefficient C-1.09192e-03
Coefficient D4.07400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 201.30 J/mol×K 273.00 Calculated Property
Cp,gas 253.12 J/mol×K 353.78 Calculated Property
Cp,gas 296.33 J/mol×K 434.56 Calculated Property
Cp,gas 332.23 J/mol×K 515.33 Calculated Property
Cp,gas 362.09 J/mol×K 596.11 Calculated Property
Cp,gas 387.22 J/mol×K 676.89 Calculated Property
Cp,gas 408.89 J/mol×K 757.67 Calculated Property
Cp,gas 428.39 J/mol×K 838.44 Calculated Property
Cp,gas 447.02 J/mol×K 919.22 Calculated Property
Cp,gas 466.06 J/mol×K 1000.00 Calculated Property

Similar Compounds

Epinephrine. Phenylephrine. Etilefrine. Isoproterenol. synephrine. DL-ARTERENOL. BAMETHAN. Norfenefrine. 1,2-Benzenediol, 4-[2-[[2-(1,3-benzodioxol-5-yl)-1-methylethyl]amino]-1-hydroxyethyl]-. Acetamide, n-(beta,3,4-trihydroxyphenethyl)-, 3,4-diacetate. Acetamide, N-[2-[3,4-bis(acetyloxy)phenyl]-2-hydroxyethyl]-N-methyl-. 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol. 1,2-Benzenediol, 4-(2-amino-1-hydroxypropyl)-. (R)-(-)-Phenylephrine, bis(trimethylsilyl) ether. (-)-Norepinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-.

Find more compounds similar to Epinephrine.

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.