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tert-Amylbenzene

Catalog Number
ACM2049958
CAS Number
2049-95-8
Product Name
tert-Amylbenzene
Structure
Category
Electrolytes; Lithium-Ion Batteries
Synonyms
2-Methyl-2-phenylbutane
IUPAC Name
2-methylbutan-2-ylbenzene
Molecular Weight
148.24
Molecular Formula
C11H16
Canonical SMILES
CCC(C)(C)C1=CC=CC=C1
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
Boiling Point
192.4 °C
Purity
98%
Solubility
7.08e-05 M
Complexity
107
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
EC Number
218-076-0
Exact Mass
148.1252
Formal Charge
0
Heavy Atom Count
11
Hydrogen Bond Acceptor Count
0
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
148.1252
NSC Number
4025
Rotatable Bond Count
2
Topological Polar Surface Area
0 Ų
UNII
ER8C1TON3X
XLogP3
4.7
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