4-Piperidinenitrile, 1-(3-(p-fluorobenzoyl)propyl)-4-(o-methoxymethoxyphenyl)-, oxalate, hemihydrate

Base Information

• Chemical Name: 4-Piperidinenitrile, 1-(3-(p-fluorobenzoyl)propyl)-4-(o-methoxymethoxyphenyl)-, oxalate, hemihydrate
• CAS No.: 102071-42-1
• Molecular Formula: C26H29FN2O7
• Molecular Weight: 500.5161
• DSSTox Substance ID: DTXSID00144594

Synonyms:102071-42-1;4-Piperidinenitrile, 1-(3-(p-fluorobenzoyl)propyl)-4-(o-methoxymethoxyphenyl)-, oxalate, hemihydrate;DTXSID00144594;LS-115814;C24H27FN2O3.C2H2O4.1/2H2O;C24-H27-F-N2-O3.C2-H2-O4.1/2H2-O

Chemical Property of 4-Piperidinenitrile, 1-(3-(p-fluorobenzoyl)propyl)-4-(o-methoxymethoxyphenyl)-, oxalate, hemihydrate

Chemical Property:

• Vapor Pressure: 2.16E-13mmHg at 25°C
• Boiling Point: 578.7°Cat760mmHg
• Flash Point: 303.8°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 500.19587943
• Heavy Atom Count: 36
• Complexity: 660

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCOC1=CC=CC=C1C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C#N.C(=O)(C(=O)O)O

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