Cas no 3622-69-3 ( )

  structure
  structure
Product Name: 
CAS No:3622-69-3
MF:C9H19N3O
MW:185.266661882401
CID:921141
PubChem ID:101329
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • [(Z)-octan-2-ylideneamino]urea
    • (+-)-2-amino-octane, hydrochloride
    • 1-methyl-heptylamine, hydrochloride
    • 2-Octanamine hydrochloride
    • 2-Octanon-semicarbazon
    • 2-Octylamine hydrochloride
    • AC1L1NDF
    • Amino-2
    • Amino-2 octane chlorhydrate [French]
    • HEPTYLAMINE, 1-METHYL-, HYDROCHLORIDE
    • LS-74731
    • Methylhexylketon-semicarbazon
    • methyl-n-hexylketone semicarbazone
    • octan-2-amine hydrochloride
    • octan-2-one semicarbazone
    • Octanon-(2)-semicarbazon
    • rac-2-amino-octane hydrochloride
    • AKOS017270784
    • hexyl methyl ketone semicarbazone
    • 3622-69-3
    • 2-(1-Methylheptylidene)hydrazinecarboxamide
    • DTXSID901262747
    • SCHEMBL9356574
    •  
    • Inchi: 1S/C9H19N3O/c1-3-4-5-6-7-8(2)11-12-9(10)13/h3-7H2,1-2H3,(H3,10,12,13)
    • InChI Key: COGNJHDCPSNYEH-UHFFFAOYSA-N
    • SMILES: O=C(N)NN=C(C)CCCCCC

Computed Properties

  • Exact Mass: 185.15297
  • Monoisotopic Mass: 185.152812238g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 6
  • Complexity: 178
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 2
  • Topological Polar Surface Area: 67.5?2

Experimental Properties

  • PSA: 67.48

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