2,2'-(2-Hydroxypropane-1,3-diyl)bis(1H-isoindole-1,3(2H)-dione) - CAS 73825-95-3

Catalog:	BB060952
Product Name:	2,2'-(2-Hydroxypropane-1,3-diyl)bis(1H-isoindole-1,3(2H)-dione)
CAS:	73825-95-3
Synonyms:	2,2'-(2-hydroxypropane-1,3-diyl)bis(1h-isoindole-1,3(2h)-dione); 2-Propanol, 1,3-diphthalimido-; Phthalimide, N,N'-(2-hydroxytrimethylene)di-; N,N'-(2-Hydroxytrimethylene)diphthalimide; 2-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]isoindole-1,3-dione; 1,3-Diphthalimido-2-propanol; 1H-Isoindole-1,3(2H)-dione, 2,2'-(2-hydroxy-1,3-propanediyl)bis-

Technical Data

IUPAC Name:	2-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]isoindole-1,3-dione
Description:	2,2'-(2-Hydroxypropane-1,3-diyl)bis(1H-isoindole-1,3(2H)-dione) is a reagent used for the preparation of functionalized tripodal ligands and their metal complexes for imaging applications.
Molecular Weight:	350.32
Molecular Formula:	C19H14N2O5
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CN3C(=O)C4=CC=CC=C4C3=O)O
InChI:	InChI=1S/C19H14N2O5/c22-11(9-20-16(23)12-5-1-2-6-13(12)17(20)24)10-21-18(25)14-7-3-4-8-15(14)19(21)26/h1-8,11,22H,9-10H2
InChI Key:	PAMYSJPCAPDCNZ-UHFFFAOYSA-N
Melting Point:	204-206°C
Solubility:	Dichloromethane (Slightly), DMSO (Slightly)
Appearance:	White to Off-White Solid
Storage:	-20°C Freezer
References:	Dunn, T.J., et al. PCT Int. Appl., 1995:494561 (1995).

Complexity:	546
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	350.09027155
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	350.09027155
Rotatable Bond Count:	4
Topological Polar Surface Area:	95Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1