Chemical Properties of Antazoline (CAS 91-75-8)

Antazoline

InChI
InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChI Key
REYFJDPCWQRWAA-UHFFFAOYSA-N
Formula
C17H19N3
SMILES
c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1
Molecular Weight1
265.35
CAS
91-75-8
Other Names
  • 1H-Imidazole-2-methanamine, 4,5-dihydro-N-phenyl-N-(phenylmethyl)-
  • 2-(N-Phenyl-N-benzylaminomethyl)imidazoline
  • 2-Imidazoline, 2-[(N-benzylanilino)methyl]-
  • 2-Phenyl-benzyl-amino-methylimidazolin
  • 2-[(N-Benzylanilino)methyl]-2-imidazoline
  • 4,5-Dihydro-N-phenyl-N-phenylmethyl-1H-imidazole-2-methanamine
  • 5512-M
  • Allergan A
  • Analergine
  • Antastan
  • Antasten
  • Antazolin
  • Antihistal
  • Antistin
  • Antistine
  • Azalone
  • Ben-a-hist
  • Histostab
  • Imidamine
  • Phenazoline
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Physical Properties

Property Value Unit Source
ΔfusH° 39.31 kJ/mol Joback Calculated Property
IE 7.98 eV Relay (1.0) Calculated Property
log10WS -2.60 Aq. Solubility Prediction
logPoct/wat 2.695 Crippen Calculated Property
McVol 217.650 ml/mol McGowan Calculated Property
Inp [2280.00; 2330.00]   Show Hide
Inp 2295.00 NIST
Inp 2320.00 NIST
Inp 2330.00 NIST
Inp 2280.00 NIST
Inp 2315.00 NIST
Inp 2328.00 NIST
Tfus 350.31 K Relay (1.0) Calculated Property

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 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 [265.23; 725.51] 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-1.11568e+02
Coefficient B1.64768e+00
Coefficient C-1.04320e-03
Coefficient D2.32600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 265.23 J/mol×K 273.00 Calculated Property
Cp,gas 351.08 J/mol×K 353.78 Calculated Property
Cp,gas 426.53 J/mol×K 434.56 Calculated Property
Cp,gas 492.33 J/mol×K 515.33 Calculated Property
Cp,gas 549.20 J/mol×K 596.11 Calculated Property
Cp,gas 597.89 J/mol×K 676.89 Calculated Property
Cp,gas 639.13 J/mol×K 757.67 Calculated Property
Cp,gas 673.66 J/mol×K 838.44 Calculated Property
Cp,gas 702.21 J/mol×K 919.22 Calculated Property
Cp,gas 725.51 J/mol×K 1000.00 Calculated Property

Similar Compounds

N-Desmethylmianserin. Hexahydro-3,3,5-trimethyl-2-p-tolyl-1,4,2-diazaphosphorine-2-oxide. 2-Acetyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cyclohepten-7-ol, acetate (ester). DIHYDROMORPHINE. Hydrocodone. Acetyldihydrocodeine. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. Benazepril Me. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. cefuroxime acid. Methyldihydromorphine. Hydromorphone. DIHYDROMORPHINONE ACETATE. Bicyclohexyl-1,1'-diol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Thymidine, 3'-O-acetyl, 5'-O-TBDMS.

Find more compounds similar to Antazoline.

Sources

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