68695-48-7 Purity
97%
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Specification
The molecular formula is C31H28N2P2.
The synonyms are 2-[Bis[(diphenylphosphino)methyl]amino]pyridine and N,N-bis(diphenylphosphanylmethyl)pyridin-2-amine.
The molecular weight is 490.5 g/mol.
It was created on March 17, 2015.
The IUPAC name is N,N-bis(diphenylphosphanylmethyl)pyridin-2-amine.
The InChI is InChI=1S/C31H28N2P2/c1-5-15-27(16-6-1)34(28-17-7-2-8-18-28)25-33(31-23-13-14-24-32-31)26-35(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-24H,25-26H2.
The InChIKey is ZXIWFXGTKWRBNF-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C(C=C1)P(CN(CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=N4)C5=CC=CC=C5.
The XLogP3-AA value is 7.2.
The hydrogen bond donor count is 0.