Trecadrina

Base Information

• Chemical Name: Trecadrina
• CAS No.: 90845-56-0
• Molecular Formula: C27H29 N O
• Molecular Weight: 383.53
• UNII: 34H206R8A5
• ChEMBL ID: CHEMBL3989446
• NCI Thesaurus Code: C66619
• Wikidata: Q27256364
• Mol file: 90845-56-0.mol

Synonyms:(1-((2-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)ethyl)methylamino)ethy)benzyl alcohol;trecadrine

Chemical Property of Trecadrina

Chemical Property:

• Vapor Pressure: 4.6E-13mmHg at 25°C
• Boiling Point: 553°C at 760 mmHg
• Flash Point: 220.5°C
• PSA: 23.47000
• Density: 1.149g/cm³
• LogP: 5.27080
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 383.224914549
• Heavy Atom Count: 29
• Complexity: 511

Purity/Quality:

99% ^*data from raw suppliers

TRECADRINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C1=CC=CC=C1)O)N(C)CC=C2C3=CC=CC=C3CCC4=CC=CC=C42
• Isomeric SMILES: C[C@@H]([C@@H](C1=CC=CC=C1)O)N(C)CC=C2C3=CC=CC=C3CCC4=CC=CC=C42

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