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23785-22-0,MFCD08059940
Catalog No.:AA00BCHG

23785-22-0 | 4-(Chloromethyl)-1h-imidazole

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BCHG
Chemical Name:
4-(Chloromethyl)-1h-imidazole
CAS Number:
23785-22-0
Molecular Formula:
C4H5ClN2
Molecular Weight:
116.5489
MDL Number:
MFCD08059940
SMILES:
ClCc1c[nH]cn1
NSC Number:
176148
Properties
Computed Properties
 
Complexity:
57.7  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
0.5  

Downstream Synthesis Route

[1]ZhurnalObshcheiKhimii,1954,vol.24,p.1866,1868;engl.Ausg.S.1831,1832

[2]JournaloftheAmericanChemicalSociety,1949,vol.71,p.2801

[3]TetrahedronLetters,1996,vol.37,p.4417-4420

[1]CurrentPatentAssignee:MERCK&COINC;LIGANDPHARMACEUTICALSINC-WO2007/24944,2007,A1Locationinpatent:Page/Pagecolumn74

[2]CurrentPatentAssignee:BIALBIOTECHINVEST;BIALRDINVESTMENTS;BIALRDINVEST-WO2021/55612,2021,A1Locationinpatent:Paragraph00384

Literature

Title: Conformationally constrained histidines in the design of peptidomimetics: strategies for the χ-space control.

Journal: International journal of molecular sciences 20110101

Title: Crystal structure of F65A/Y131C-methylimidazole carbonic anhydrase V reveals architectural features of an engineered proton shuttle.

Journal: Biochemistry 20020226

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SDS
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