Cucurbit[6]uril hydrate

ALDRICH/94544 - contains acid of crystalization

Synonym: Cucurbituril

CAS Number: 80262-44-8
Empirical Formula (Hill Notation): C₃₆H₃₆N₂₄O₁₂ · xH₂O
Molecular Weight: 996.82 (anhydrous basis)
MDL Number: MFCD05664716
Linear Formula: C₃₆H₃₆N₂₄O₁₂ · xH₂O
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-94544-1G-F	1 g	$174.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

contains	acid of crystalization
form	powder
InChI	1S/C36H36N24O12.12H2O/c61-25-37-1-38-14-16-42(26(38)62)4-46-18-20-50(30(46)66)8-54-22-24-58(34(54)70)11-57-23-21-53(33(57)69)7-49-19-17-45(29(49)65)3-41(25)15-13(37)39-2-40(14)28(64)44(16)6-48(18)32(68)52(20)10-56(22)36(72)60(24)12-59(23)35(71)55(21)9-51(19)31(67)47(17)5-43(15)27(39)63;;;;;;;;;;;;/h13-24H,1-12H2;12*1H2/t13-,14+,15+,16-,17-,18+,19+,20-,21-,22+,23+,24-;;;;;;;;;;;;
InChI key	OJYUBEBOTWDXDN-BUVXLTGGSA-N
SMILES string	[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H][C@@]12N3CN4C(=O)N5CN6C(=O)N7CN8C(=O)N9CN%10C(=O)N%11CN%12C(=O)N%13CN(C3=O)[C@]1([H])N%14CN%15C(=O)N(CN%16C(=O)N(CN%17C(=O)N(CN%18C(=O)N(CN%19C(=O)N(CN2C%14=O)[C@]4([H])[C@@]5%19[H])[C@]6([H])[C@@]7%18[H])[C@]8([H])[C@@]9%17[H])[C@]%10([H])[C@@]%11%16[H])[C@]%12([H])[C@@]%13%15[H]

Other Notes:	Host molecule forming host-guest complexes, e.g. with dyes; with metals
Packaging:	1 g in glass bottle

RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

UNSPSC

12352005

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