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Home Other Building Blocks 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione

1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione

CAS No.:
27676-62-6
Catalog Number:
AG00383U
Molecular Formula:
C48H69N3O6
Molecular Weight:
784.0780
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
>98%(HPLC)powder
In Stock USA
United States
$82
- +
100mg
>98%(HPLC)powder
In Stock USA
United States
$156
- +
Product Description
Catalog Number:
AG00383U
Chemical Name:
1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione
CAS Number:
27676-62-6
Molecular Formula:
C48H69N3O6
Molecular Weight:
784.0780
MDL Number:
MFCD00134700
IUPAC Name:
1,3,5-tris[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
InChI:
InChI=1S/C48H69N3O6/c1-43(2,3)31-19-28(20-32(37(31)52)44(4,5)6)25-49-40(55)50(26-29-21-33(45(7,8)9)38(53)34(22-29)46(10,11)12)42(57)51(41(49)56)27-30-23-35(47(13,14)15)39(54)36(24-30)48(16,17)18/h19-24,52-54H,25-27H2,1-18H3
InChI Key:
VNQNXQYZMPJLQX-UHFFFAOYSA-N
SMILES:
CC(c1cc(cc(c1O)C(C)(C)C)Cn1c(=O)n(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)c(=O)n(c1=O)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C)C
EC Number:
248-597-9
UNII:
680V3MP8YT
Properties
Complexity:
1170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
783.519g/mol
Formal Charge:
0
Heavy Atom Count:
57  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
784.095g/mol
Monoisotopic Mass:
783.519g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.8  
Literature
Title Journal
Cluster secondary ion mass spectrometry and the temperature dependence of molecular depth profiles. Analytical chemistry 20120501
Molecular depth profiling by wedged crater beveling. Analytical chemistry 20110815
Organic depth profiling of a nanostructured delta layer reference material using large argon cluster ions. Analytical chemistry 20100101
Properties