10874
  CDK     0602212310

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.7934   -1.8563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0 
  1 10  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  5  8  2  0  0  0  0 
  7  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
M  END
> <ID>
CHEBI:173362

> <NAME>
3-Butylpyridine

> <STAR>
2

> <IUPAC_NAME>
3-butylpyridine

> <FORMULA>
C9H13N

> <MASS>
135.210

> <MONOISOTOPIC_MASS>
135.10480

> <CHARGE>
0

> <SMILES>
N=1C=C(CCCC)C=CC1

> <INCHI>
InChI=1S/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2,1H3

> <INCHIKEY>
QSNMFWFDOFQASV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
539-32-2

> <CHEMIDPLUS>
539-32-2

$$$$