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5-Ethyl-2-Methylpyridine Borane
Also known as: 1014979-56-6, 1006873-58-0, Borane - 5-ethyl-2-methylpyridine complex, 5-ethyl-2-methylpyridine borane complex, 5-ethyl-2-picoline borane, Schembl487256
Molecular Formula
C8H11BN
Molecular Weight
131.99  g/mol
InChI Key
VPEPQDBAIMZCGV-UHFFFAOYSA-N

1 2D Structure

5-Ethyl-2-Methylpyridine Borane

2 Identification
2.1 Computed Descriptors
2.1.1 InChI
InChI=1S/C8H11N.B/c1-3-8-5-4-7(2)9-6-8;/h4-6H,3H2,1-2H3;
2.1.2 InChI Key
VPEPQDBAIMZCGV-UHFFFAOYSA-N
2.1.3 Canonical SMILES
[B].CCC1=CN=C(C=C1)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1014979-56-6

2. 1006873-58-0

3. Borane - 5-ethyl-2-methylpyridine Complex

4. 5-ethyl-2-methylpyridine Borane Complex

5. 5-ethyl-2-picoline Borane

6. Schembl487256

7. Mfcd16621137

8. Akos015891848

9. Borane - 5-ethyl-2-picoline Complex

10. B4084

11. A904001

12. J-517470

2.3 Create Date
2008-11-24
3 Chemical and Physical Properties
Molecular Weight 131.99 g/mol
Molecular Formula C8H11BN
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass132.0984545 g/mol
Monoisotopic Mass132.0984545 g/mol
Topological Polar Surface Area12.9 Ų
Heavy Atom Count10
Formal Charge0
Complexity80.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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