Cas no 127119-12-4 (1H-Imidazole-1-carboxylic acid,4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-, 1,1-dimethylethyl ester)

1H-Imidazole-1-carboxylic acid,4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-, 1,1-dimethylethyl ester structure
127119-12-4 structure
Product Name:1H-Imidazole-1-carboxylic acid,4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-, 1,1-dimethylethyl ester
CAS No:127119-12-4
MF:C15H25N3O4
MW:311.376703977585
CID:1220866
PubChem ID:819122
Update Time:2025-04-20

1H-Imidazole-1-carboxylic acid,4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-, 1,1-dimethylethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole-1-carboxylic acid,4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-, 1,1-dimethylethyl ester
    • WWYWXHQAJQEAQJ-UHFFFAOYSA-N
    • 1-t-Butoxycarbonyl-4-{2-(t-butoxycarbonyl-amino)ethyl}imidazole
    • 4-(2-tert-Butoxycarbonylamino-ethyl)-imidazole-1-carboxylic acid tert-butyl ester
    • AI-942/42301869
    • AKOS015940647
    • tert-butyl 4-{2-[(tert-butoxycarbonyl)amino]ethyl}-1H-imidazole-1-carboxylate
    • SCHEMBL5450093
    • tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-1-carboxylate
    • 1-t-Butoxycarbonyl-4-[2-(t-butoxycarbonylamino)ethyl]imidazole
    • 127119-12-4
    • tert-Butyl 4-(2-((tert-butoxycarbonyl)amino)ethyl)-1H-imidazole-1-carboxylate
    • Inchi： 1S/C15H25N3O4/c1-14(2,3)21-12(19)16-8-7-11-9-18(10-17-11)13(20)22-15(4,5)6/h9-10H,7-8H2,1-6H3,(H,16,19)
    • InChI Key： WWYWXHQAJQEAQJ-UHFFFAOYSA-N
    • SMILES： O(C(N1C=NC(=C1)CCNC(=O)OC(C)(C)C)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 311.18465
  • Monoisotopic Mass: 311.18450629g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 7
  • Complexity: 399
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 82.4?2

Experimental Properties

  • PSA: 82.45

1H-Imidazole-1-carboxylic acid,4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-, 1,1-dimethylethyl ester Related Literature

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