Chemical Properties of Noxiptiline (CAS 3362-45-6)

InChI

InChI=1S/C19H22N2O/c1-21(2)13-14-22-20-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10H,11-14H2,1-2H3

InChI Key

GPTURHKXTUDRPC-UHFFFAOYSA-N

Formula

C19H22N2O

SMILES

CN(C)CCON=C1c2ccccc2CCc2ccccc21

Molecular Weight¹

294.39

CAS

3362-45-6

Other Names

• 10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-one O-[2-dimethylamino)ethyl]oxime
• Noxiptyline
• Dibenzoxin
• Noxiptilin
• Noxiptylin

• Δ_fH°_gas : Enthalpy of formation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	84.11	kJ/mol	Joback Calculated Property
ΔvapH°	72.58	kJ/mol	Joback Calculated Property
log10WS	-3.82		Crippen Calculated Property
logPoct/wat	3.116		Crippen Calculated Property
McVol	241.720	ml/mol	McGowan Calculated Property
Pc	1744.82	kPa	Joback Calculated Property
Inp	[2265.00; 2269.00]
Inp	2267.00		NIST
Inp	2265.00		NIST
Inp	2269.00		NIST
Inp	2268.00		NIST
Tboil	822.87	K	Joback Calculated Property
Tc	1059.41	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Noxiptiline.

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.