Chemical Properties of Ketamine (CAS 100477-72-3)

Ketamine

InChI
InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
InChI Key
YQEZLKZALYSWHR-UHFFFAOYSA-N
Formula
C13H16ClNO
SMILES
CNC1(c2ccccc2Cl)CCCCC1=O
Molecular Weight1
237.72
CAS
100477-72-3
Other Names
  • Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (.+/-.)-
  • Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-
  • Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (.+/-.)-
  • CI 581 base
  • CLSTA 20
  • Ketaject
  • Ketalar base
  • 2-(o-Chlorophenyl)-2-(methylamino)cyclohexanone
  • 2-(Methylamino)-2-(2-chlorophenyl)cyclohexanone
  • (.+/-.)-2-(O-Chlorophenyl)-2-(methylamino)cyclohexanone
  • (.+/-.)-Ketamine
  • dl-Ketamine
  • NSC 70151
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Physical Properties

Property Value Unit Source
ΔfusH° 17.42 kJ/mol Joback Calculated Property
logPoct/wat 2.898 Crippen Calculated Property
McVol 183.200 ml/mol McGowan Calculated Property
Inp [1805.00; 1861.00]   Show Hide
Inp 1820.00 NIST
Inp 1861.00 NIST
Inp 1805.00 NIST
Inp 1830.00 NIST
Inp 1843.00 NIST
Inp 1861.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [220.47; 605.14] 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-9.60200e+01
Coefficient B1.42912e+00
Coefficient C-1.08616e-03
Coefficient D3.58200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 220.47 J/mol×K 273.00 Calculated Property
Cp,gas 289.49 J/mol×K 353.78 Calculated Property
Cp,gas 349.30 J/mol×K 434.56 Calculated Property
Cp,gas 401.03 J/mol×K 515.33 Calculated Property
Cp,gas 445.81 J/mol×K 596.11 Calculated Property
Cp,gas 484.77 J/mol×K 676.89 Calculated Property
Cp,gas 519.05 J/mol×K 757.67 Calculated Property
Cp,gas 549.79 J/mol×K 838.44 Calculated Property
Cp,gas 578.11 J/mol×K 919.22 Calculated Property
Cp,gas 605.14 J/mol×K 1000.00 Calculated Property

Similar Compounds

Ketamine. Norketamine. Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 2. Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 1. Poligodial + p-Tyr (ethyl ester) adduct (S). Poligodial + o-Tyr (ethyl ester) adduct (R,S). Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Zinc octaethylporphyrin chloride. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Hydroxy-N-methylcytisine. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Tetrahydrocannabinol. Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 1.

Find more compounds similar to Ketamine.

Sources

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