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Home Other Building Blocks 1,4-Di-tert-butylbenzene

1,4-Di-tert-butylbenzene

CAS No.:
1012-72-2
Catalog Number:
AG0003XQ
Molecular Formula:
C14H22
Molecular Weight:
190.3245
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$32
- +
5g
95%
In Stock USA
United States
$75
- +
25g
95%
In Stock USA
United States
$203
- +
Product Description
Catalog Number:
AG0003XQ
Chemical Name:
1,4-Di-tert-butylbenzene
CAS Number:
1012-72-2
Molecular Formula:
C14H22
Molecular Weight:
190.3245
MDL Number:
MFCD00008836
IUPAC Name:
1,4-ditert-butylbenzene
InChI:
InChI=1S/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3
InChI Key:
OOWNNCMFKFBNOF-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C(C)(C)C)(C)C
EC Number:
213-790-9
UNII:
55PTX4KH71
NSC Number:
6342
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.172g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.33g/mol
Monoisotopic Mass:
190.172g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Literature
Title Journal
Perylene bisimide dimer aggregates: fundamental insights into self-assembly by NMR and UV/Vis spectroscopy. Chemistry (Weinheim an der Bergstrasse, Germany) 20121022
Bimolecular electron transfers that deviate from the Sandros-Boltzmann dependence on free energy: steric effect. The Journal of organic chemistry 20120217
Quantification of hexanal as an index of lipid oxidation in human milk and association with antioxidant components. Journal of clinical biochemistry and nutrition 20111101
Discovery of novel SERCA inhibitors by virtual screening of a large compound library. European journal of medicinal chemistry 20110501
4,5-Bis(2,4-di-tert-butyl-phen-oxy)phthalonitrile. Acta crystallographica. Section E, Structure reports online 20110301
Thermochemistry of ionic liquid-catalyzed reactions. experimental and theoretical study of chemical equilibria of isomerization and transalkylation of tert-butylbenzenes. The journal of physical chemistry. A 20081106
Properties