Cas no 169128-35-2 ([2-[(methyl-(3-methylbutyl)amino)methyl]pyridin-3-yl] N,N-dimethylcarbamate; oxalic acid)

[2-[(methyl-(3-methylbutyl)amino)methyl]pyridin-3-yl] N,N-dimethylcarbamate; oxalic acid structure
169128-35-2 structure
Product Name:[2-[(methyl-(3-methylbutyl)amino)methyl]pyridin-3-yl] N,N-dimethylcarbamate; oxalic acid
CAS No:169128-35-2
MF:C17H27N3O6
MW:369.412784814835
CID:158334
PubChem ID:3074948
Update Time:2025-04-19

[2-[(methyl-(3-methylbutyl)amino)methyl]pyridin-3-yl] N,N-dimethylcarbamate; oxalic acid Chemical and Physical Properties

Names and Identifiers

    • [2-[(methyl-(3-methylbutyl)amino)methyl]pyridin-3-yl] N,N-dimethylcarbamate
    • [2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-yl] N,N-dimethylcarbamate,oxalic acid
    • 2-{[methyl(3-methylbutyl)amino]methyl}pyridin-3-yl dimethylcarbamate ethanedioate
    • Carbamic acid, dimethyl-, 2-((methyl(3-methylbutyl)amino)methyl)-3-pyridinyl ester, ethanedioate (1:1)
    • oxalic acid
    • 2-((Isopentylmethylamino)methyl)-3-pyridinol dimethylcarbamate oxalate
    • 169128-35-2
    • [2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-yl] N,N-dimethylcarbamate;oxalic acid
    • DTXSID00168654
    • [2-[(methyl-(3-methylbutyl)amino)methyl]pyridin-3-yl] N,N-dimethylcarbamate; oxalic acid
    • Inchi： 1S/C15H25N3O2.C2H2O4/c1-12(2)8-10-18(5)11-13-14(7-6-9-16-13)20-15(19)17(3)4;3-1(4)2(5)6/h6-7,9,12H,8,10-11H2,1-5H3;(H,3,4)(H,5,6)
    • InChI Key： GHIQALUCFHQCTE-UHFFFAOYSA-N
    • SMILES： O(C(N(C)C)=O)C1=CC=CN=C1CN(C)CCC(C)C.OC(C(=O)O)=O

Computed Properties

  • Exact Mass: 387.20067
  • Monoisotopic Mass: 369.19
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 8
  • Complexity: 366
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 120?2

Experimental Properties

  • Boiling Point: 360.9°C at 760 mmHg
  • Flash Point: 172.1°C
  • PSA: 151.5

[2-[(methyl-(3-methylbutyl)amino)methyl]pyridin-3-yl] N,N-dimethylcarbamate; oxalic acid Related Literature

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