Isopentylbenzene - CAS 2049-94-7
Catalog: |
BB016011 |
Product Name: |
Isopentylbenzene |
CAS: |
2049-94-7 |
Synonyms: |
3-methylbutylbenzene |
IUPAC Name: | 3-methylbutylbenzene |
Description: | Isopentylbenzene (CAS# 2049-94-7) is a useful research chemical. |
Molecular Weight: | 148.24 |
Molecular Formula: | C11H16 |
Canonical SMILES: | CC(C)CCC1=CC=CC=C1 |
InChI: | InChI=1S/C11H16/c1-10(2)8-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
InChI Key: | XNXIYYFOYIUJIW-UHFFFAOYSA-N |
Boiling Point: | 193 °C at 760 mmHg |
Density: | 0.861 g/cm3 |
MDL: | MFCD00008948 |
LogP: | 3.27520 |
Publication Number | Title | Priority Date |
US-2015232425-A1 | Process for preparing n-benzyl-3-hydroxy-4-substituted-pyridin-2-(1h)-ones | 20140219 |
WO-2015123437-A1 | Cyclopropylamines as lsd1 inhibitors | 20140213 |
US-2015210612-A1 | Methods for selectively hydrogenating benzene with supported organometallic catalysts and systems and methods for reducing benzene in gasoline using such catalysts | 20140129 |
WO-2015112293-A1 | Synthesis of molecular sieves having mww framework structure | 20140127 |
WO-2015095755-A1 | Methylene carbamate linkers for use with targeted-drug conjugates | 20131219 |
PMID | Publication Date | Title | Journal |
22236948 | 20120227 | Degradation of brominated flame retardant in computer housing plastic by supercritical fluids | Journal of hazardous materials |
Complexity: | 88.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.12520051 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.12520051 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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