1 2D Structure

2D Structure

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 Formula	C₈H₁₁BN
Molecular Weight	131.99 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	132.0984545 g/mol
Monoisotopic Mass	132.0984545 g/mol
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	80.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

5-Ethyl-2-Methylpyridine Borane