Chemical Properties of Amodryl (CAS 118-23-0)

Amodryl

InChI
InChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3
InChI Key
NUNIWXHYABYXKF-UHFFFAOYSA-N
Formula
C17H20BrNO
SMILES
CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1
Molecular Weight1
334.25
CAS
118-23-0
Other Names
  • Bromazine
  • Bromdiphenhydramine
  • Ethanamine, 2-[(4-bromophenyl)phenylmethoxy]-N,N-dimethyl-
  • Ethylamine, 2-[(p-bromo-«alpha»-phenylbenzyl)oxy]-N,N-dimethyl-
  • «beta»-(p-Bromobenzhydryloxy)ethyldimethylamine
  • Ambodryl
  • Bromanautine
  • Bromazin base
  • Bromo-Benadryl
  • Bromo-Benadryl base
  • Bromodiphenhydramine
  • Deserol
  • Deserol base
  • Histabromamine
  • Neo-Benadryl
  • 2-[(p-Bromo-«alpha»-phenylbenzyl)oxy]-N,N-dimethylethylamine
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Physical Properties

Property Value Unit Source
ΔfusH° 33.45 kJ/mol Joback Calculated Property
log10WS -3.34 Relay (1.0) Calculated Property
logPoct/wat 4.117 Crippen Calculated Property
McVol 236.220 ml/mol McGowan Calculated Property
Inp [2125.00; 2170.00]   Show Hide
Inp 2170.00 NIST
Inp 2125.00 NIST
Inp 2148.00 NIST
Inp 2170.00 NIST
Inp 2150.00 NIST
Inp 2125.00 NIST
Inp 2150.00 NIST
Inp 2125.00 NIST
Inp 2155.00 NIST
Inp 2148.00 NIST
Ip [2942.00; 2942.00]   Show Hide
Ip 2942.00 NIST
Ip 2942.00 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 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 [298.74; 722.42] 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-4.47580e+01
Coefficient B1.50634e+00
Coefficient C-9.72560e-04
Coefficient D2.33400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 298.74 J/mol×K 273.00 Calculated Property
Cp,gas 376.76 J/mol×K 353.78 Calculated Property
Cp,gas 445.33 J/mol×K 434.56 Calculated Property
Cp,gas 505.17 J/mol×K 515.33 Calculated Property
Cp,gas 557.03 J/mol×K 596.11 Calculated Property
Cp,gas 601.65 J/mol×K 676.89 Calculated Property
Cp,gas 639.76 J/mol×K 757.67 Calculated Property
Cp,gas 672.10 J/mol×K 838.44 Calculated Property
Cp,gas 699.40 J/mol×K 919.22 Calculated Property
Cp,gas 722.42 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benadryl. Nordimedrol acetylated. Orphenadrine. CLOPERASTINE. Carbinoxamine. Rotoxamine. Ethylamine, 2-((p-bromo-«alpha»-methyl-«alpha»-phenylbenzyl)oxy)-N,N-dimethyl-. 1H-2,5-Benzoxazocine, 3,4,5,6-tetrahydro-5-methyl-1-phenyl-. 4-DIPHENYLMETHOXY-1-METHYLPIPERIDINE. 2,2-Diphenylmorpholine. chlorbenzoylethamine. Benztropine. Ethylamine, 2-[1-(p-chlorophenyl)-1-phenylethoxy]-N,N-dimethyl-. Benzhydryl 2-chloroethyl ether. 2-phenyl-4-allyl-tetrahydro-1,4-oxazine.

Find more compounds similar to Amodryl.

Sources

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