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2158301-19-8

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2158301-19-8 Structure

2158301-19-8 Structure
IdentificationBack Directory
[Name]

(S)-2-(piperazin-2-yl)acetonitrile dihydrochloride
[CAS]

2158301-19-8
[Synonyms]

(S)-2-(piperazin-2-yl)acetonitrile dihydrochloride
2-[(2S)-Piperazin-2-yl]acetonitrile dihydrochloride
[Molecular Formula]

C6H13Cl2N3
[MDL Number]

MFCD32173174
[MOL File]

2158301-19-8.mol
[Molecular Weight]

198.094
Chemical PropertiesBack Directory
[storage temp. ]

Inert atmosphere,2-8°C
[InChI]

InChI=1/C6H11N3.ClH/c7-2-1-6-5-8-3-4-9-6;/h6,8-9H,1,3-5H2;1H/t6-;/s3
[InChIKey]

MEAXRFZWKOHAAC-UZHXKHNSNA-N
[SMILES]

C([C@@H]1NCCNC1)C#N.Cl |&1:1,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard InformationBack Directory
[Uses]

2-[(2S)-Piperazin-2-yl]acetonitrile Dihydrochloride can be useful in the synthesis of Adagrasib (MRTX849), a covalent KRASG12C inhibitor drug for the treatment of cancer.
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-2-(piperazin-2-yl)acetonitrile dihydrochloride(2158301-19-8)1HNMR
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