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Merck
CN

545228

Cucurbit[8]uril hydrate

contains acid of crystalization

Synonym(s):

CB[8]) hydrate

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About This Item

Linear Formula:
C48H48N32O16 · xH2O · xHCl
NACRES:
NA.23
PubChem Substance ID:
329758037
UNSPSC Code:
12162002
MDL number:
MFCD03456501

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InChI

1S/C48H48N32O16.ClH.H2O/c81-33-49-1-50-18-20-54(34(50)82)4-58-22-24-62(38(58)86)8-66-26-28-70(42(66)90)12-74-30-32-78(46(74)94)15-77-31-29-73(45(77)93)11-69-27-25-65(41(69)89)7-61-23-21-57(37(61)85)3-53(33)19-17(49)51-2-52(18)36(84)56(20)6-60(22)40(88)64(24)10-68(26)44(92)72(28)14-76(30)48(96)80(32)16-79(31)47(95)75(29)13-71(27)43(91)67(25)9-63(23)39(87)59(21)5-55(19)35(51)83;;/h17-32H,1-16H2;1H;1H2/t17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,28-,29-,30+,31+,32-;;

SMILES string

O.Cl.O=C1N2CN3C4C5N(CN6C7C8N(CN9C%10C%11N(CN%12C%13C%14N(CN%15C%16C%17N(CN%18C%19C%20N(CN%21C%22C%23N(CN1C%24C2N%25CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C(=O)N%17CN%19C(=O)N%20CN%22C(=O)N%23CN%24C%25=O)C%21=O)C%18=O)C%15=O)C%12=O)C9=O)C6=O)C3=O

InChI key

COYIBPCTQSGIKE-IIKCYMFNSA-N

form

solid

optical activity

[α]20/D −61°, c = 1% in H2O

contains

acid of crystalization

Quality Level

100

Related Categories

General description

Cucurbit[8]uril hydrate (CB[8]) is apumpkin-shaped macromolecule widely explored in the field of host-guestchemistry. It can form binary and ternary complexes. The carbonyl groups ofglycoluril present at rims of CB[8] act as electrostatic dipoles and make it favorable forincorporating cationic organic ammonium compounds. It can also be used toprepare stimuli-responsive polymer brushes.

Application

Cucurbit[8]uril hydrate can be used as ananocontainer in a polyelectrolyte multilayer film.

Other Notes

May contain ca.20% water. Contains acid of crystallization.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Certificates of Analysis (COA)

Lot/Batch Number
MKDB2911
MKCX1414
MKCS6203
MKCT6674
MKCQ7092

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