4-Quinolinol, decahydro-1,2-dimethyl-4-ethynyl-, benzoate (ester), hydrochloride, (2-alpha,4-beta,4a-alpha,8a-beta)-

Base Information

• Chemical Name: 4-Quinolinol, decahydro-1,2-dimethyl-4-ethynyl-, benzoate (ester), hydrochloride, (2-alpha,4-beta,4a-alpha,8a-beta)-
• CAS No.: 110345-58-9
• Molecular Formula: C₂₀H₂₅NO₂*ClH
• Molecular Weight: 347.885
• DSSTox Substance ID: DTXSID00149221

Synonyms:110345-58-9;4-Quinolinol, decahydro-1,2-dimethyl-4-ethynyl-, benzoate (ester), hydrochloride, (2-alpha,4-beta,4a-alpha,8a-beta)-;DTXSID00149221;LS-142507

Chemical Property of 4-Quinolinol, decahydro-1,2-dimethyl-4-ethynyl-, benzoate (ester), hydrochloride, (2-alpha,4-beta,4a-alpha,8a-beta)-

Chemical Property:

• Vapor Pressure: 1.58E-06mmHg at 25°C
• Boiling Point: 397.5°C at 760 mmHg
• Flash Point: 123.6°C
• PSA: 29.54000
• LogP: 4.23810
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 347.1652068
• Heavy Atom Count: 24
• Complexity: 487

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(C2CCCCC2N1C)(C#C)OC(=O)C3=CC=CC=C3.Cl
• Isomeric SMILES: C[C@@H]1C[C@@]([C@H]2CCCC[C@@H]2N1C)(C#C)OC(=O)C3=CC=CC=C3.Cl

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