Desmethyldoxepin hydrochloride, (E)-

Base Information

• Chemical Name: Desmethyldoxepin hydrochloride, (E)-
• CAS No.: 2887-91-4
• Molecular Formula: C18H19 N O . Cl H
• Molecular Weight: 301.81
• Hs Code.: 2932996560
• European Community (EC) Number: 636-684-8
• UNII: 4VQL417S2G
• DSSTox Substance ID: DTXSID30196369
• Wikidata: Q27260571
• Mol file: 2887-91-4.mol

Synonyms:4504-96-5;Nordoxepin hydrochloride;Desmethyldoxepin hydrochloride, (E)-;Nordoxepin (hydrochloride);2887-91-4;UNII-4VQL417S2G;4VQL417S2G;N-Desmethyl(Z)-DoxepinHydrochloride;(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methylpropan-1-amine;hydrochloride;1-Propanamine, 3-dibenz(b,E)oxepin-11(6H)-ylidene-N-methyl-, hydrochloride (1:1), (3E)-;1-Propanamine, 3-dibenz(b,E)oxepin-11(6H)-ylidene-N-methyl-, hydrochloride, (E)-;C18H19NO.ClH;1-Propanamine, 3-dibenz[b,e]oxepin-11(6H)-ylidene-N-methyl-, hydrochloride (1:1), (3E)-;N-Desmethyldoxepin hydrochloride;DTXSID30196369;(E)-desmethyldoxepin hydrochloride;PD040588;HY-100046;CS-0018031;CS-0179843;A13894;E82211;J-017310;Q27260571;11(6H)-(3-[Methylamino]propylidene)dibenz[b,e]oxepine;3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)-N-methylpropan-1-aminehydrochloride;(E)-3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)-N-methylpropan-1-amine Hydrochloride (Desmethyldoxepin Hydrochloride);(E)-3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)-N-methylpropan-1-amine hydrochloride (Doxepin Impurity)

Chemical Property of Desmethyldoxepin hydrochloride, (E)-

Chemical Property:

• Vapor Pressure: 2.74E-07mmHg at 25°C
• Melting Point: 159-160oC
• Boiling Point: 420.8°Cat760mmHg
• Flash Point: 174.5°C
• PSA: 21.26000
• Density: 1.134g/cm³
• LogP: 4.81310
• Storage Temp.: -20°C Freezer
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 301.1233420
• Heavy Atom Count: 21
• Complexity: 338

Purity/Quality:

98%Min ^*data from raw suppliers

Nordoxepin hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 22-50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCC=C1C2=CC=CC=C2COC3=CC=CC=C31.Cl
• Isomeric SMILES: CNCC/C=C/1\C2=CC=CC=C2COC3=CC=CC=C31.Cl
• Uses: A metabolite of Doxepin (D550000).