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

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	325.11	kJ/mol	Joback Calculated Property
ΔfH°gas	23.74	kJ/mol	Joback Calculated Property
ΔfusH°	33.45	kJ/mol	Joback Calculated Property
ΔvapH°	69.15	kJ/mol	Joback Calculated Property
log10WS	-4.53		Crippen Calculated Property
logPoct/wat	4.117		Crippen Calculated Property
McVol	236.220	ml/mol	McGowan Calculated Property
Pc	2173.43	kPa	Joback Calculated Property
Inp	[2125.00; 2170.00]
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	2170.00		NIST
Inp	2125.00		NIST
Inp	2148.00		NIST
I	[2942.00; 2942.00]
I	2942.00		NIST
I	2942.00		NIST
Tboil	747.28	K	Joback Calculated Property
Tc	982.07	K	Joback Calculated Property
Tfus	446.21	K	Joback Calculated Property
Vc	0.864	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[635.19; 717.65]	J/mol×K	[747.28; 982.07]
Cp,gas	635.19	J/mol×K	747.28	Joback Calculated Property
Cp,gas	651.89	J/mol×K	786.41	Joback Calculated Property
Cp,gas	667.29	J/mol×K	825.54	Joback Calculated Property
Cp,gas	681.48	J/mol×K	864.68	Joback Calculated Property
Cp,gas	694.55	J/mol×K	903.81	Joback Calculated Property
Cp,gas	706.58	J/mol×K	942.94	Joback Calculated Property
Cp,gas	717.65	J/mol×K	982.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to Amodryl.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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