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Home Other Building Blocks tert-Amylbenzene

tert-Amylbenzene

CAS No.:
2049-95-8
Catalog Number:
AG0029QW
Molecular Formula:
C11H16
Molecular Weight:
148.2447
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$8
- +
10g
95%
In Stock USA
United States
$10
- +
25g
95%
In Stock USA
United States
$12
- +
500g
97%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG0029QW
Chemical Name:
tert-Amylbenzene
CAS Number:
2049-95-8
Molecular Formula:
C11H16
Molecular Weight:
148.2447
MDL Number:
MFCD00015187
IUPAC Name:
2-methylbutan-2-ylbenzene
InChI:
InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChI Key:
QHTJSSMHBLGUHV-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)(C)C
EC Number:
218-076-0
UNII:
ER8C1TON3X
NSC Number:
4025
Properties
Complexity:
107  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.125g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.249g/mol
Monoisotopic Mass:
148.125g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
Synthesis of cross-reactive carbohydrate determinants fragments as tools for in vitro allergy diagnosis. Bioorganic & medicinal chemistry 20110201
Thermochemistry of ionic liquid catalyzed reactions. Experimental and theoretical study of chemical equilibria of izomerization and transalkylation of tert-amylbenzenes. The journal of physical chemistry. B 20090924
Properties