Marvin  09160809092D          

  6  5  0  0  0  0            999 V2000
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  1  2  1  0  0  0  0
  5  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
> <ID>
CHEBI:48945

> <NAME>
2-methylbutan-1-ol

> <DEFINITION>
A primary alcohol that is  isopentane substituted by a hydroxy group at position 1.

> <STAR>
3

> <SYNONYM>
sec-butylcarbinol; primary active amyl alcohol; methyl-2-butan-1-ol; CH3CH2CH(CH3)CH2OH; active primary amyl alcohol; active amyl alcohol; 2-methylbutyl alcohol; 2-methylbutanol; 2-methylbutan-1-ol; 2-methyl-n-butanol; 2-methyl-1-butanol; 2-methyl butanol-1

> <IUPAC_NAME>
2-methylbutan-1-ol

> <FORMULA>
C5H12O

> <MASS>
88.14818

> <MONOISOTOPIC_MASS>
88.08882

> <CHARGE>
0

> <SMILES>
CCC(C)CO

> <INCHI>
InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3

> <INCHIKEY>
QPRQEDXDYOZYLA-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1718810

> <CAS_REGISTRY_NUMBER>
137-32-6

> <GMELIN_REGISTRY_NUMBER>
600874

> <REAXYS_REGISTRY_NUMBER>
1718810

> <CHEMIDPLUS>
137-32-6

> <METACYC_ACCESSION>
CPD-7033

> <NIST_CHEMISTRY_WEBBOOK>
137-32-6

> <PUBMED_CITATION>
20812374; 22821412

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