Chemical Compound

AC1O47JH

CAS Registry Number1212462-50-4
AC1O47JH chemical structure
Primary record

AC1O47JH

CAS
1212462-50-4
PubChem CID
6353631
SMILES
C1CCN2CCC[C@H]([C@H]2C1)COC(=O)CCBr
Molecular Formula
C13H22BrNO2
Molecular Weight
304.228
Exact Mass
303.0834
InChI
InChI=1S/C13H22BrNO2/c14-7-6-13(16)17-10-11-4-3-9-15-8-2-1-5-12(11)15/h11-12H,1-10H2/t11-,12+/m0/s1
InChIKey
FKJQCTBFDDVHFK-NWDGAFQWSA-N
LogP
2.5791
TPSA
29.54

Names and synonyms

  • AC1O47JH
  • C13H22BrNO2
  • ZINC4027717
  • STL562340
  • AKOS030491521
  • CID6353631
  • (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 3-bromopropanoate
  • ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 3-bromopropanoate
  • 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 3-bromopropanoate
  • [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 3-bromopropanoate
  • 1212462-50-4