2158301-19-8

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2158301-19-8 Structure

Identification	Back 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 Properties	Back 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 Data	Back Directory
[Symbol(GHS) ] 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 Information	Back 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 Detail	Back Directory
[Spectrum Detail] (S)-2-(piperazin-2-yl)acetonitrile dihydrochloride(2158301-19-8)¹HNMR

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