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Home> Hot Product Listed 2   > 2-(2-methyl-1h-imidazol-1-yl)propanoic acid hydrochloride
1187927-08-7 structure

2-(2-methyl-1h-imidazol-1-yl)propanoic acid hydrochloride

Iupac Name:tert-butyl 3-(methylamino)piperidine-1-carboxylate;hydrochloride
CAS No.:1187927-08-7
Molecular Weight:250.767
Molecular Formula:C17H19N5O3 (isomer)
Names and Identifiers
Synonyms

2-(2-methyl-1h-imidazol-1-yl)propanoic acid hydrochloride, aldrichcpr 2-(2-methylimidazol-1-yl)propanoic acid hydrochloride AC1Q3999 AKOS008093386 BG01509089 CTK6A9709 EN300-55707 MCULE-6623890793 mfcd13186096 MOLPORT-016-583-115 Z1171978847

Inchi
InChI=1S/C11H22N2O2.ClH/c1-11(2,3)15-10(14)13-7-5-6-9(8-13)12-4;/h9,12H,5-8H2,1-4H3;1H
InChkey
VOEFCBJLDQFVSV-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)OC(=O)N1CCCC(C1)NC.Cl
Computational chemical data
  • Molecular Weight:250.767g/mol
  • Molecular Formula:C17H19N5O3
  • Compound Is Canonicalized:True
  • Exact Mass:250.145
  • Monoisotopic Mass:250.145
  • Complexity:223
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:41.6A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceBzMAAEAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAQAAAADGzBgAQCCAPABAAI AAAAGAAAAAAAAAAAAIAIAAAAQAIAgAAcAAAAFgCAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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