Piminodine

Base Information

• Chemical Name: Piminodine
• CAS No.: 13495-09-5
• Molecular Formula: C23H30 N2 O2
• Molecular Weight: 366.503
• European Community (EC) Number: 236-817-6
• UNII: 3IIX447HWS
• DSSTox Substance ID: DTXSID60159149
• Nikkaji Number: J8.122A
• Wikipedia: Piminodine
• Wikidata: Q7194651
• NCI Thesaurus Code: C84060
• ChEMBL ID: CHEMBL2110995
• Mol file: 13495-09-5.mol

Synonyms:ethyl 1-(3-(phenylamino)propyl)-4-phenylpiperidine-4-carboxylate;piminodine

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Chemical Property of Piminodine

Chemical Property:

• Vapor Pressure: 1E-10mmHg at 25°C
• Boiling Point: 515.2°C at 760 mmHg
• PKA: pKa 6.90 (Uncertain)
• Flash Point: 265.4°C
• PSA: 41.57000
• Density: 1.103g/cm³
• LogP: 4.09640
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 366.230728204
• Heavy Atom Count: 27
• Complexity: 434

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CCN(CC1)CCCNC2=CC=CC=C2)C3=CC=CC=C3
• Uses: Alvodine Ethanesulfonate (Sterling Winthrop).

Technology Process of Piminodine

There total 1 articles about Piminodine 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:

aniline (62-53-3) → 1-(3-anilino-propyl)-4-phenyl-piperidine-4-carboxylic acid ethyl ester (13495-09-5)

Guidance literature:

With water; sodium carbonate;

DOI:10.1021/ja01523a073

upstream raw materials:

aniline