Cas no 1216737-36-8 (Nicotinuric Acid-d4)

Nicotinuric Acid-d4 structure
Nicotinuric Acid-d4 structure
Product Name:Nicotinuric Acid-d4
CAS No:1216737-36-8
MF:C8H8N2O3
MW:184.185368537903
CID:1062799
PubChem ID:46782479
Update Time:2025-04-20

Nicotinuric Acid-d4 Chemical and Physical Properties

Names and Identifiers

    • Nicotinuric Acid-d4
    • 2-[(2,4,5,6-tetradeuteriopyridine-3-carbonyl)amino]acetic acid
    • N-[(~2~H_4_)Pyridine-3-carbonyl]glycine
    • F91183
    • CS-0226629
    • 2-{[(2,4,5,6-?H?)pyridin-3-yl]formamido}acetic acid
    • SS-4499
    • 1216737-36-8
    • N-[(3-Pyridinyl-d4)carbonyl]glycine
    • DTXSID00676067
    • Nicotinuric-d4 Acid (pyridyl-d4)
    • AKOS016339606
    • HY-113353S
    • J-004580
    • MDL: MFCD15071300
    • Inchi: 1S/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12)/i1D,2D,3D,4D
    • InChI Key: ZBSGKPYXQINNGF-RHQRLBAQSA-N
    • SMILES: O=C(C1C([2H])=NC([2H])=C([2H])C=1[2H])NCC(=O)O

Computed Properties

  • Exact Mass: 184.07900
  • Monoisotopic Mass: 184.07859911g/mol
  • Isotope Atom Count: 4
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 206
  • 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: -0.4
  • Topological Polar Surface Area: 79.3?2

Experimental Properties

  • Melting Point: 250-253?C (dec.)
  • PSA: 82.78000
  • LogP: 0.47080

Nicotinuric Acid-d4 Pricemore >>

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