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138722-96-0

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138722-96-0 Structure

138722-96-0 Structure
IdentificationBack Directory
[Name]

atrazine mercapturate
[CAS]

138722-96-0
[Synonyms]

Atrazine-mercapturate, 100 μg /μL in Acetonitrile
L-Cysteine, N-acetyl-S-[4-(ethylamino)-6-[(1-methylethyl)amino]-1,3,5-triazin-2-yl]-
(R)-2-Acetamido-3-(4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-ylthio)propanoic acid
(2R)-2-acetamido-3-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoicaci
[Molecular Formula]

C13H22N6O3S
[MDL Number]

MFCD11616797
[MOL File]

138722-96-0.mol
[Molecular Weight]

342.42
Chemical PropertiesBack Directory
[density ]

1.31±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: ; Methanol:
[form ]

A crystalline solid
[pka]

2.87±0.10(Predicted)
[Stability:]

Hygroscopic
Safety DataBack Directory
[Symbol(GHS) ]


GHS07,GHS08
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H317-H341
[Precautionary statements ]

P201-P202-P261-P264-P270-P272-P280-P301+P312-P330-P302+P352-P308+P313-P321-P362+P364-P333+P313-P363-P405-P501
Hazard InformationBack Directory
[Uses]

The major metabolite of Atrazine (A794600) (ATR) in human urine.
[storage]

Store at -20°C
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