trans-4'-Fluoro-4-((4-methoxy-4-o-tolylcyclohexyl)amino)butyrophenone hydrochloride hydrate

Base Information

• Chemical Name: trans-4'-Fluoro-4-((4-methoxy-4-o-tolylcyclohexyl)amino)butyrophenone hydrochloride hydrate
• CAS No.: 63867-29-8
• Molecular Formula: C48H64Cl2F2N2O5
• Molecular Weight: 857.935
• DSSTox Substance ID: DTXSID00980515

Synonyms:63867-29-8;trans-4'-Fluoro-4-((4-methoxy-4-o-tolylcyclohexyl)amino)butyrophenone hydrochloride hydrate;DTXSID00980515;trans-N-(3-(p-Fluorobenzoyl)propyl)-4-methoxy-4-o-tolylcyclohexylamine hydrochloride hydrate;Butyrophenone, 4'-fluoro-4-((4-methoxy-4-o-tolylcyclohexyl)amino)-, hydrochloride, hemihydrate, (E)-;1-(4-Fluorophenyl)-4-{[4-methoxy-4-(2-methylphenyl)cyclohexyl]amino}butan-1-one--hydrogen chloride--water (2/2/1)

Chemical Property of trans-4'-Fluoro-4-((4-methoxy-4-o-tolylcyclohexyl)amino)butyrophenone hydrochloride hydrate

Chemical Property:

• Vapor Pressure: 5.8E-11mmHg at 25°C
• Boiling Point: 521.2°C at 760 mmHg
• Flash Point: 269°C
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 16
• Exact Mass: 856.4160349
• Heavy Atom Count: 59
• Complexity: 481

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1C2(CCC(CC2)NCCCC(=O)C3=CC=C(C=C3)F)OC.CC1=CC=CC=C1C2(CCC(CC2)NCCCC(=O)C3=CC=C(C=C3)F)OC.O.Cl.Cl

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