Chemical Properties of Cyclobenzaprine (CAS 303-53-7)

InChI

InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3

InChI Key

JURKNVYFZMSNLP-UHFFFAOYSA-N

Formula

C20H21N

SMILES

CN(C)CCC=C1c2ccccc2C=Cc2ccccc21

Molecular Weight¹

275.39

CAS

303-53-7

Other Names

• 1-Propanamine, 3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-
• 5H-Dibenzo(a,d)cycloheptene-«delta»5,«gamma»-propylamine, N,N-dimethyl-
• N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-«delta»5,«gamma»-propylamine
• 5-(3-Dimetilaminopropiliden)-5H-dibenzo-(a,d)-ciclopentene
• Proeptatriene
• Proheptatriene
• MK 130
• Ro 4-1577
• RP 9715
• 10,11-Dehydroamitriptyline
• 9715 R.P
• Proheptatrien
• 3-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine

• 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.
• 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°	577.74	kJ/mol	Joback Calculated Property
ΔfH°gas	288.47	kJ/mol	Joback Calculated Property
ΔfusH°	36.49	kJ/mol	Joback Calculated Property
ΔvapH°	69.33	kJ/mol	Joback Calculated Property
log10WS	-5.11		Crippen Calculated Property
logPoct/wat	4.554		Crippen Calculated Property
McVol	235.660	ml/mol	McGowan Calculated Property
Pc	1923.67	kPa	Joback Calculated Property
Inp	[2204.00; 2248.00]
Inp	2248.00		NIST
Inp	2204.00		NIST
Inp	2248.00		NIST
Tboil	749.97	K	Joback Calculated Property
Tc	983.67	K	Joback Calculated Property
Tfus	458.81	K	Joback Calculated Property
Vc	0.884	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[659.74; 748.64]	J/mol×K	[749.97; 983.67]
Cp,gas	659.74	J/mol×K	749.97	Joback Calculated Property
Cp,gas	677.08	J/mol×K	788.92	Joback Calculated Property
Cp,gas	693.22	J/mol×K	827.87	Joback Calculated Property
Cp,gas	708.31	J/mol×K	866.82	Joback Calculated Property
Cp,gas	722.48	J/mol×K	905.77	Joback Calculated Property
Cp,gas	735.88	J/mol×K	944.72	Joback Calculated Property
Cp,gas	748.64	J/mol×K	983.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclobenzaprine.

Sources

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

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.