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104617-49-4

Name 2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole
CAS 104617-49-4
EINECS(EC#) 600-587-9
Molecular Formula C7H11N3S
MDL Number MFCD07771983
Molecular Weight 169.25
MOL File 104617-49-4.mol
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Chemical Properties

Melting point  >180oC (dec.)
Boiling point  359.0±42.0 °C(Predicted)
density  1.313±0.06 g/cm3(Predicted)
vapor pressure  0-0Pa at 20-50℃
storage temp.  Keep in dark place,Inert atmosphere,2-8°C
solubility  Methanol (Slightly)
form  Solid
pka 9.18±0.20(Predicted)
color  White to Pale Brown
InChI InChI=1S/C7H11N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h4H,1-3,8H2,(H2,9,10)
InChIKey DRRYZHHKWSHHFT-UHFFFAOYSA-N
SMILES NC1SC2CC(N)CCC=2N=1
LogP -0.2 at 20℃ and pH9.24
Surface tension 71.2mN/m at 1g/L and 20℃
CAS DataBase Reference 104617-49-4(CAS DataBase Reference)

Safety Data

HS Code  2921490090

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