Trapencaine

Base Information

• Chemical Name: Trapencaine
• CAS No.: 104485-01-0
• Deprecated CAS: 76875-69-9
• Molecular Formula: C22H34 N2 O3
• Molecular Weight: 374.52
• UNII: 6H10WF5D0H
• DSSTox Substance ID: DTXSID70883140
• Nikkaji Number: J346.625F
• NCI Thesaurus Code: C66614
• Mol file: 104485-01-0.mol

Synonyms:2-(1-pyrrolidinyl)cyclohexyl 3-pentyloxycarbanilic acid ester;K 1902;pentacaine;pentacaine hydrochloride;pentacaine hydrochloride, (trans)-isomer;pentacaine hydrochloride, tritium-labeled cpd;pentacaine, trans-(+,-)-isomer;trapencaine

Chemical Property of Trapencaine

Chemical Property:

• Vapor Pressure: 8.82E-09mmHg at 25°C
• Boiling Point: 463.8°Cat760mmHg
• Flash Point: 234.3°C
• PSA: 54.29000
• Density: 1.1g/cm³
• LogP: 5.16260
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 374.25694295
• Heavy Atom Count: 27
• Complexity: 439

Purity/Quality:

99% ^*data from raw suppliers

TRAPENCAINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC1=CC=CC(=C1)NC(=O)OC2CCCCC2N3CCCC3
• Isomeric SMILES: CCCCCOC1=CC=CC(=C1)NC(=O)O[C@@H]2CCCC[C@H]2N3CCCC3

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