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

Base Information

• Chemical Name: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-4-(3-nitrophenyl)-, 2-(phenylamino)ethyl ester, P-oxide
• CAS No.: 128506-04-7
• Molecular Formula: C27H32 N3 O7 P
• Molecular Weight: 541.5326
• DSSTox Substance ID: DTXSID80926153
• Mol file: 128506-04-7.mol

Synonyms:128506-04-7;3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-4-(3-nitrophenyl)-, 2-(phenylamino)ethyl ester, P-oxide;C27H32N3O7P;DTXSID80926153;C27-H32-N3-O7-P;LS-130844;2-Anilinoethyl 5-(5,5-dimethyl-2-oxo-1,3,2lambda~5~-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

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

Chemical Property:

• Vapor Pressure: 1.07E-18mmHg at 25°C
• Boiling Point: 686.5°C at 760 mmHg
• Flash Point: 369°C
• Density: 1.32g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 541.19778737
• Heavy Atom Count: 38
• Complexity: 999

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)OCCNC4=CC=CC=C4