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104617-49-4

104617-49-4 Structure

104617-49-4 Structure
IdentificationMore
[Name]

2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole
[CAS]

104617-49-4
[Synonyms]

2,6-DIAMINO-4,5,6,7-TETRAHYDROBENZOTHIAZOLE
4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOL-2,6-DIAMINE
4,5,6,7-tetrahydro-2,6-benzothiazole diamine
4,5,6,7-Tetrahydro-2,3-Benzothiazole Diamine
2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole
[EINECS(EC#)]

600-587-9
[Molecular Formula]

C7H11N3S
[MDL Number]

MFCD07771983
[Molecular Weight]

169.25
[MOL File]

104617-49-4.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[HS Code ]

2921490090
Hazard InformationBack Directory
[Uses]

(RS)-N-Despropyl Pramipexole is an intermediate in the synthesis of Pramipexole (P700755), a dopamine-D2-receptor agonist; an antiparkinsonian agent.
Spectrum DetailBack Directory
[Spectrum Detail]

2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole(104617-49-4)1HNMR
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