2,2'-((1R,2R)-1,2-CYCLOHEXANEDIYLBIS((E&
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2,2'-((1R,2R)-1,2-CYCLOHEXANEDIYLBIS((E&
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CAS No:
323193-85-7
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Formula:
C38H56N4O4
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Chemical Name:
2,2'-((1R,2R)-1,2-CYCLOHEXANEDIYLBIS((E&
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Synonyms:
2,2μ-[(1R,2R)-(-)-1,2-Cyclohexanediylbis((E)-(nitrilomethylidyne))]bis[4-(tert-butyl)-6-(4-morpholinylmethyl)phenol];N,Nμ-Bis[(E)-5-(tert-butyl)-2-hydroxy-3-(4-morpholinylmethyl)benzylidene]-[(1R,2R)-1,2-cyclohexanediamine];(6Z)-4-tert-butyl-6-[[[(1R,2R)-2-[[(Z)-[3-tert-butyl-5-(morpholin-4-ylmethyl)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]cyclohexyl]amino]methylidene]-2-(morpholin-4-ylmethyl)cyclohexa-2,4-dien-1-one;Phenol, 2,2'-[(1R,2R)-1,2-cyclohexanediylbis[(E)-nitrilomethylidyne]]bis[4-(1,1-dimethylethyl)-6-(4-morpholinylmethyl)-, rel- (9CI)
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CAS No:
Characteristics
90.12000
6.08220
1.16±0.1 g/cm3
132-140 °C
729.1±60.0 °C(Predicted)
394.7ºC
1.588
13.05±0.40
Safety Information
3
36/37/38
26
Xi
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:632.9
XLogP3:5.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:632.43015628
Monoisotopic Mass:632.43015628
Topological Polar Surface Area:90.1
Heavy Atom Count:46
Complexity:902
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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