Cas no 31898-47-2 (1-Piperidinamine,N-[[2-(5-nitro-2-furanyl)-4-thiazolyl]methylene]-)

1-Piperidinamine,N-[[2-(5-nitro-2-furanyl)-4-thiazolyl]methylene]- structure
31898-47-2 structure
Product Name:1-Piperidinamine,N-[[2-(5-nitro-2-furanyl)-4-thiazolyl]methylene]-
CAS No:31898-47-2
MF:C13H14N4O3S
MW:306.340260982513
CID:315937
PubChem ID:100469
Update Time:2025-04-19

1-Piperidinamine,N-[[2-(5-nitro-2-furanyl)-4-thiazolyl]methylene]- Chemical and Physical Properties

Names and Identifiers

    • 1-Piperidinamine,N-[[2-(5-nitro-2-furanyl)-4-thiazolyl]methylene]-
    • (E)-1-[2-(5-nitrofuran-2-yl)-1,3-thiazol-4-yl]-N-piperidin-1-ylmethanimine
    • [2-(5-nitro-furan-2-yl)-thiazol-4-ylmethylene]-piperidin-1-yl-amine
    • 1-Piperidinamine, N-((2-(5-nitro-2-furanyl)-4-thiazolyl)methylene)-
    • BRN 0562900
    • LS-113874
    • N-((2-(5-Nitro-2-furanyl)-4-thiazolyl)methylene)-1-piperidinamine
    • NSC304379
    • DTXSID00953820
    • Piperidine, 1-[[[2-(5-nitro-2-furyl)-4-thiazolyl]methylene]amino]-
    • NSC-304379
    • 1-[2-(5-Nitrofuran-2-yl)-1,3-thiazol-4-yl]-N-(piperidin-1-yl)methanimine
    • 31898-47-2
    • 8N595PQ2KF
    • N-[[2-(5-Nitro-2-furanyl)-4-thiazolyl]methylene]-1-piperidinamine
    • Inchi: 1S/C13H14N4O3S/c18-17(19)12-5-4-11(20-12)13-15-10(9-21-13)8-14-16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7H2
    • InChI Key: QUWXPAMGCZPVGI-UHFFFAOYSA-N
    • SMILES: S1C=C(C=NN2CCCCC2)N=C1C1=CC=C([N+](=O)[O-])O1

Computed Properties

  • Exact Mass: 306.07882
  • Monoisotopic Mass: 306.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 397
  • 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: 3.3
  • Topological Polar Surface Area: 116?2

Experimental Properties

  • Density: 1.5
  • Boiling Point: 520.2°Cat760mmHg
  • Flash Point: 268.4°C
  • Refractive Index: 1.714
  • PSA: 84.77
  • LogP: 3.59220
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