3-Pyridinecarboxylic acid, 1,4-dihydro-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide, hydrochloride

Base Information

• Chemical Name: 3-Pyridinecarboxylic acid, 1,4-dihydro-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide, hydrochloride
• CAS No.: 124416-41-7
• Molecular Formula: C38H45 N4 O7 P . x Cl H
• Molecular Weight: 737.2212
• DSSTox Substance ID: DTXSID20924799
• Mol file: 124416-41-7.mol

Synonyms:124416-41-7;3-Pyridinecarboxylic acid, 1,4-dihydro-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide, hydrochloride;C38H45N4O7P.xClH;DTXSID20924799;C38-H45-N4-O7-P.x-Cl-H;LS-130847;2-[4-(Diphenylmethyl)piperazin-1-yl]ethyl 5-(5,5-dimethyl-2-oxo-1,3,2lambda~5~-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate--hydrogen chloride (1/1)

Chemical Property of 3-Pyridinecarboxylic acid, 1,4-dihydro-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide, hydrochloride

Chemical Property:

• Vapor Pressure: 8.04E-24mmHg at 25°C
• Boiling Point: 773°C at 760 mmHg
• Flash Point: 421.3°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 736.2792645
• Heavy Atom Count: 51
• Complexity: 1290

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6.Cl