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Also known as: 2719-52-0, Sec-pentylbenzene, Pentan-2-ylbenzene, Benzene, sec-pentyl-, 29316-05-0, Benzene, (1-methylbutyl)-
Molecular Formula
C11H16
Molecular Weight
148.24  g/mol
InChI Key
LTHAIAJHDPJXLG-UHFFFAOYSA-N

CAS 2719-52-0
1 2D Structure

CAS 2719-52-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
pentan-2-ylbenzene
2.1.2 InChI
InChI=1S/C11H16/c1-3-7-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3
2.1.3 InChI Key
LTHAIAJHDPJXLG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCC(C)C1=CC=CC=C1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2719-52-0

2. Sec-pentylbenzene

3. Pentan-2-ylbenzene

4. Benzene, Sec-pentyl-

5. 29316-05-0

6. Benzene, (1-methylbutyl)-

7. 1-phenyl-1-methylbutane

8. Sec-amylbenzene

9. Einecs 249-553-1

10. Einecs 220-324-8

11. (pentan-2-yl)benzene

12. (1-methybutyl)benzene

13. 1-methyl-n-butylbenzene

14. 1-methyl-1-phenylbutane

15. (1-methylbutyl)benzene #

16. 2-phenylpentane, Tech. 85%

17. (1-methylbutyl)-benzene

18. Dtxsid10870993

19. Caa71952

20. Mfcd00027145

21. Db-047181

22. Cs-0450406

23. Ft-0634456

24. [3-(tert-butoxycarbonylamino-imino-methyl)-phenyl]-aceticacid

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 148.24 g/mol
Molecular Formula C11H16
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass148.125200510 g/mol
Monoisotopic Mass148.125200510 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count11
Formal Charge0
Complexity90.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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