Cas no 3641-46-1 (L-Arginine-2,3-t2(9CI))

L-Arginine-2,3-t2(9CI) structure
L-Arginine-2,3-t2(9CI) structure
Product Name:L-Arginine-2,3-t2(9CI)
CAS No:3641-46-1
MF:C6H14N4O2
MW:178.217179298401
CID:304918
PubChem ID:71308530
Update Time:2025-04-19

L-Arginine-2,3-t2(9CI) Chemical and Physical Properties

Names and Identifiers

    • L-Arginine-2,3-t2(9CI)
    • DTXSID10745551
    • 3641-46-1
    • N~5~-(Diaminomethylidene)-L-(2,3-~3~H_2_)ornithine
    • Inchi: 1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1/i2T,4T/t2?,4-
    • InChI Key: ODKSFYDXXFIFQN-JQZHSJCGSA-N
    • SMILES: OC([C@]([3H])(C([3H])CC/N=C(\N)/N)N)=O

Computed Properties

  • Exact Mass: 178.12812420g/mol
  • Monoisotopic Mass: 178.12812420g/mol
  • Isotope Atom Count: 2
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 176
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -4.2
  • Topological Polar Surface Area: 128?2

Experimental Properties

  • PSA: 125.22000
  • LogP: 0.55280

L-Arginine-2,3-t2(9CI) Security Information

  • Hazardous Material transportation number:UN 2910 7
  • WGK Germany:3
  • Hazardous Material Identification: R
  • Storage Condition:2-8°C
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