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Cyanox CY 1790

CAT: 0127-BUP16151Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-BUP16151Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
40601-76-1
Synonyms
Lowinox 1790, Irganox 3790, Antioxidant 1790, Irganox-3790, DN 90
Purity
=95%
Smiles
Cc1cc(c(O)c(C)c1Cn1c(=O)n(Cc2c(C)cc(c(O)c2C)C(C)(C)C)c(=O)n(Cc2c(C)cc(c(O)c2C)C(C)(C)C)c1=O)C(C)(C)C

Chemical Information

1,3,5-Tri(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
CAS Number40601-76-1
PubChem CID93221
IUPAC Name1,3,5-tris[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
Molecular FormulaC42H57N3O6
Molecular Weight699.9
XLogP10
Topological Polar Surface Area122
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count51
Formal Charge0
Complexity1090
SMILES
CC1=CC(=C(C(=C1CN2C(=O)N(C(=O)N(C2=O)CC3=C(C(=C(C=C3C)C(C)(C)C)O)C)CC4=C(C(=C(C=C4C)C(C)(C)C)O)C)C)O)C(C)(C)C
InChI
InChI=1S/C42H57N3O6/c1-22-16-31(40(7,8)9)34(46)25(4)28(22)19-43-37(49)44(20-29-23(2)17-32(41(10,11)12)35(47)26(29)5)39(51)45(38(43)50)21-30-24(3)18-33(42(13,14)15)36(48)27(30)6/h16-18,46-48H,19-21H2,1-15H3
InChIKey
XYXJKPCGSGVSBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3,5-Tri(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
CAS: 40601-76-1
CID: 93221
Formula: C42H57N3O6
MW: 699.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight699.9
XLogP310
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass699.42473655
Monoisotopic Mass699.42473655
Topological Polar Surface Area122 Ų
Heavy Atom Count51
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
M24366-01Cyanox CY 1790
P24237PCR4-TOPO-IRAG2 (human) (3point mutation 1598-1790 with insertion)
290940-011,3,5-Tris (4-tert-butyl-3-hydrOxy-2,6-dimethylbenzyl) -1,3,5-triazine-2,4,6- (1H,3H,5H) -triOne; IrganOx 1790

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