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CS-W001157 4
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3-(1-Methyl-1H-imidazol-2-yl)propanoic acid

  • CAS No. 869938-98-7

  • Cat. No. CS-0456723
  • Purity≥98%
  • MDL No.MFCD08060136

*For research and further manufacturing use only, not for direct human use.

3-(1-Methyl-1H-imidazol-2-yl)propanoic acid|CS-0456723

Structure of 869938-98-7

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General Information

  • CAS No. 869938-98-7
  • Cat. No. CS-0456723
  • Purity ≥98%
  • MDL No. MFCD08060136
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀N₂O₂
  • Molecular Weight 154.17
  • Synonym(s) 3-(1-METHYL-1H-IMIDAZOL-2-YL)-PROPIONIC ACID
  • SMILES CN1C=CN=C1CCC(=O)O

Synthesis

  • Route1
    • null|null
      869846-76-4
    • ~%
    • 3-(1-Methyl-1H-imidazol-2-yl)propanoic acid|CS-0456723
      869938-98-7

    References

    • Ikeura, Yoshinori; Hashimoto, Tadatoshi; Nishida, Haruyuki; Shirai, Junya; Sakauchi, Nobuki Patent: US2006/142337 A1, 2006 ; Location in patent: Page/Page column 76-77 ; US 20060142337 A1
  • Route2
    • Methyl 3-(1-methyl-1H-imidazol-2-yl)propanoate|CS-0563163
      869846-77-5
    • ~%
    • 3-(1-Methyl-1H-imidazol-2-yl)propanoic acid|CS-0456723
      869938-98-7

    References

    • Boehringer Ingelheim International GmbH Patent: EP1598353 A1, 2005 ; Location in patent: Page/Page column 37 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H226-H290-H311-H314-H335-H412
Precautionary Statements : P210-P233-P234-P240-P241-P242-P243-P260-P261-P264-P271-P273-P280-P301+P330+P331-P302+P352-P304+P340-P361+P364-P363-P370+P378-P390-P405-P406-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   0.4373
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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