Chemical Properties of Nortriptyline (CAS 72-69-5)

InChI

InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3

InChI Key

PHVGLTMQBUFIQQ-UHFFFAOYSA-N

Formula

C19H21N

SMILES

CNCCC=C1c2ccccc2CCc2ccccc21

Molecular Weight¹

263.38

CAS

72-69-5

Other Names

• Pamelor
• 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methyl-
• 5H-Dibenzo[a,d]cycloheptene-«DELTA»5,«gamma»-propylamine, 10,11-dihydro-N-methyl-
• Ateben
• Avantyl
• Aventyl
• Demethylamitriptyline
• Desitriptilina
• Desmethylamitriptyline
• Lumbeck
• Noramitriptyline
• Noritren
• 5-[3-(Methylamino)propylidene]dibenzo[a,e]cyclohepta[1,5]diene
• Amitryptyline, demethyl-
• Demethylamitriptylene
• Demethylamitryptyline
• 10,11-Dihydro-N-methyl-5H-dibenzo(a,d)cycloheptane-«DELTA»,«gamma»-propylamine
• 5-(3-Methylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene
• 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methylpropylamine
• Sesaval
• 10,11-Dihydro-5-(3-methylaminopropylidene)-5H-dibenzo[a,d][1,4]cycloheptene
• Nortryptiline
• Nortriptylene

• 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).
• IE : Ionization energy (eV).
• 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°	517.97	kJ/mol	Joback Calculated Property
ΔfH°gas	237.27	kJ/mol	Joback Calculated Property
ΔfusH°	34.76	kJ/mol	Joback Calculated Property
ΔvapH°	71.21	kJ/mol	Joback Calculated Property
IE	8.39 ± 0.11	eV	NIST
log10WS	-5.12		Crippen Calculated Property
logPoct/wat	3.826		Crippen Calculated Property
McVol	225.870	ml/mol	McGowan Calculated Property
Pc	2056.76	kPa	Joback Calculated Property
Inp	[2174.00; 2273.80]
Inp	2202.00		NIST
Inp	2211.00		NIST
Inp	2240.00		NIST
Inp	2214.00		NIST
Inp	Outlier 2273.80		NIST
Inp	2209.00		NIST
Inp	2208.00		NIST
Inp	2240.00		NIST
Inp	2215.00		NIST
Inp	2217.00		NIST
Inp	2220.00		NIST
Inp	2220.00		NIST
Inp	2212.00		NIST
Inp	2215.00		NIST
Inp	2215.00		NIST
Inp	2217.00		NIST
Inp	2220.00		NIST
Inp	2220.00		NIST
Inp	2220.00		NIST
Inp	2222.00		NIST
Inp	2222.00		NIST
Inp	2225.00		NIST
Inp	2227.00		NIST
Inp	2227.00		NIST
Inp	2227.00		NIST
Inp	2191.00		NIST
Inp	2191.00		NIST
Inp	2202.00		NIST
Inp	2200.00		NIST
Inp	2180.00		NIST
Inp	Outlier 2174.00		NIST
Inp	2215.00		NIST
Inp	2212.00		NIST
Inp	2210.00		NIST
Inp	2176.00		NIST
Inp	2190.00		NIST
Inp	2230.00		NIST
Inp	2215.00		NIST
Inp	2215.00		NIST
Inp	Outlier 2174.00		NIST
Inp	2210.00		NIST
Inp	2215.00		NIST
Inp	2211.00		NIST
Inp	Outlier 2273.80		NIST
Inp	2217.00		NIST
Inp	2215.00		NIST
Inp	2222.00		NIST
Inp	2227.00		NIST
Inp	2180.00		NIST
Inp	2212.00		NIST
Inp	2202.00		NIST
I	[3062.00; 3062.00]
I	3062.00		NIST
I	3062.00		NIST
Tboil	765.66	K	Joback Calculated Property
Tc	1002.96	K	Joback Calculated Property
Tfus	466.97	K	Joback Calculated Property
Vc	0.860	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[645.75; 733.33]	J/mol×K	[765.66; 1002.96]
Cp,gas	645.75	J/mol×K	765.66	Joback Calculated Property
Cp,gas	662.82	J/mol×K	805.21	Joback Calculated Property
Cp,gas	678.73	J/mol×K	844.76	Joback Calculated Property
Cp,gas	693.61	J/mol×K	884.31	Joback Calculated Property
Cp,gas	707.58	J/mol×K	923.86	Joback Calculated Property
Cp,gas	720.78	J/mol×K	963.41	Joback Calculated Property
Cp,gas	733.33	J/mol×K	1002.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Nortriptyline.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.