N-Dimethylallylnorcocaine HCl

Base Information

• Chemical Name: N-Dimethylallylnorcocaine HCl
• CAS No.: 69700-35-2
• Molecular Formula: C21H28ClNO4
• Molecular Weight: 393.9043
• DSSTox Substance ID: DTXSID20989863
• Mol file: 69700-35-2.mol

Synonyms:69700-35-2;N-Dimethylallylnorcocaine HCl;N-Dimethylallylnorcocaine hydrochloride;DTXSID20989863;8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-(3-methyl-2-butenyl)-, methyl ester, hydrochloride, (1R-(1alpha,2alpha,3alpha,5alpha))-;Methyl 3-(benzoyloxy)-8-(3-methylbut-2-en-1-yl)-8-azabicyclo[3.2.1]octane-2-carboxylate--hydrogen chloride (1/1)

Chemical Property of N-Dimethylallylnorcocaine HCl

Chemical Property:

• Vapor Pressure: 3.17E-08mmHg at 25°C
• Boiling Point: 448.2°Cat760mmHg
• Flash Point: 224.8°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 393.1706861
• Heavy Atom Count: 27
• Complexity: 548

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC)C.Cl
• Isomeric SMILES: CC(=CCN1[C@@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC)C.Cl

Technology Process of N-Dimethylallylnorcocaine HCl

There total 1 articles about N-Dimethylallylnorcocaine HCl 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:

→ 3-Benzoyloxy-8-(3-methyl-but-2-enyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester; hydrochloride (69700-35-2)

Guidance literature:

Amin III, 1.) entspr. Bromid, 2.) HCl;

DOI:10.1002/jps.2600671204