AG007UH9

174397-53-6 | Tetraethyl [2,2'-bipyridine]-4,4'-diylbis(phosphonate)

AG007UH9

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CAS Number	174397-53-6
Catalog Number	AG007UH9(AGN-PC-0QAJ8L)
Chemical Name	Tetraethyl [2,2'-bipyridine]-4,4'-diylbis(phosphonate)
IUPAC Name	4-diethoxyphosphoryl-2-(4-diethoxyphosphorylpyridin-2-yl)pyridine
InChI	InChI=1S/C18H26N2O6P2/c1-5-23-27(21,24-6-2)15-9-11-19-17(13-15)18-14-16(10-12-20-18)28(22,25-7-3)26-8-4/h9-14H,5-8H2,1-4H3
InChI Key	BBFROMDCBUIPCU-UHFFFAOYSA-N
MDL Number	MFCD11042489
Molecular Formula	C18H26N2O6P2
Molecular Weight	428.3564
SMILES	O=P(C1=CC(C2=NC=CC(P(OCC)(OCC)=O)=C2)=NC=C1)(OCC)OCC
Synonyms	174397-53-6, Tetraethyl [2,2'-bipyridine]-4,4'-diylbis(phosphonate), TETRAETHYL 2,2'-BIPYRIDINE-4,4'-BISPHOSPHONATE, CTK4D4972, DTXSID60431735, 4-diethoxyphosphoryl-2-(4-diethoxyphosphorylpyridin-2-yl)pyridine, ZINC33989423, AKOS022174891, AG-E-23990, CS-W004605, AJ-86586, AK142499, AX8282321, 4,4'-DIETHYL ESTER PHOSPHONATE-2,2'-BIPYRIDINE, 2,2'-Bipyridine-4,4'-diylbis(phosphonic acid diethyl) ester, P,P'-[[2,2'-bipyridine]-4,4'-diyl]bisphosphonic acid, 97% (HPLC), CID9845451,

Complexity	496
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	428.127g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	428.362g/mol
Monoisotopic Mass	428.127g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	96.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P302+P352-P305+P351+P338
UN Code

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