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Merck
CN

799513

Chiral cyclohexane diamine cycloimine cage

Synonym(s):

CC3-R, Cage 3-R

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About This Item

Empirical Formula (Hill Notation):
C72H84N12
CAS Number:
1072089-46-3
Molecular Weight:
1117.52
UNSPSC Code:
26111700
PubChem Substance ID:
329768093
NACRES:
NA.23

Key Documents

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SMILES string

C12/N=C/C3=CC(/C=N/C4CCCCC4/N=C/C5=CC(/C=N/C(CCCC6)C6/N=C/7)=CC(/C=N/C8CCCCC8/N=C/C9=CC(/C=N/C%10C(CCCC%10)/N=C/C%11=CC7=CC%12=C%11)=CC(/C=N/C1CCCC2)=C9)=C5)=CC(/C=N/C%13CCCCC%13/N=C\%12)=C3

InChI

1S/C72H84N12/c1-2-14-62-61(13-1)73-37-49-25-51-29-52(26-49)40-76-64-16-4-6-18-66(64)80-44-56-32-58-36-60(34-56)48-84-72-24-12-11-23-71(72)83-47-59-33-55(43-79-65-17-5-3-15-63(65)75-39-51)31-57(35-59)45-81-69-21-9-7-19-67(69)77-41-53-27-50(38-74-62)28-54(30-53)42-78-68-20-8-10-22-70(68)82-46-58/h25-48,61-72H,1-24H2/b73-37-,74-38+,75-39+,76-40+,77-41+,78-42+,79-43+,80-44+,81-45+,82-46+,83-47+,84-48+

InChI key

VIMCYPYFNMOHLL-YFWIPYMHSA-N

form

powder

storage temp.

2-8°C

Application

CC3-R is shape persistent porous organic cage that can be used to separate gases and small molecules based on their size and shape.

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Linjiang Chen et al.
Nature materials, 13(10), 954-960 (2014-07-21)
The separation of molecules with similar size and shape is an important technological challenge. For example, rare gases can pose either an economic opportunity or an environmental hazard and there is a need to separate these spherical molecules selectively at
Tamoghna Mitra et al.
Nature chemistry, 5(4), 276-281 (2013-03-21)
The energy-efficient separation of chemical feedstocks is a major sustainability challenge. Porous extended frameworks such as zeolites or metal-organic frameworks are one potential solution to this problem. Here, we show that organic molecules, rather than frameworks, can separate other organic
Tomokazu Tozawa et al.
Nature materials, 8(12), 973-978 (2009-10-27)
Porous materials are important in a wide range of applications including molecular separations and catalysis. We demonstrate that covalently bonded organic cages can assemble into crystalline microporous materials. The porosity is prefabricated and intrinsic to the molecular cage structure, as

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