Desmethyldoxepin hydrochloride, (E)-

Base Information

• Chemical Name: Desmethyldoxepin hydrochloride, (E)-
• CAS No.: 4504-96-5
• Molecular Formula: C18H20ClNO
• Molecular Weight: 301.81
• European Community (EC) Number: 636-684-8
• UNII: 4VQL417S2G
• DSSTox Substance ID: DTXSID30196369
• Wikidata: Q27260571
• Mol file: 4504-96-5.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:

• Melting Point: 225-226.5 °C
• PSA: 21.26000
• LogP: 4.81310
• 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

N-Desmethyl(E)-DoxepinHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

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

Technology Process of Desmethyldoxepin hydrochloride, (E)-

There total 1 articles about Desmethyldoxepin hydrochloride, (E)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

(E)-Desmethyldoxepin (67035-76-1) → desmethyldoxepin hydrochloride salt (4504-96-5,2887-91-4)

Guidance literature:

With hydrogenchloride; In water; pH=2;

upstream raw materials:

(E)-Desmethyldoxepin

Refernces