Cas no 77001-50-4 (1,4,7,10,13-Benzopentaoxacyclopentadecin-15-amine,2,3,5,6,8,9,11,12-octahydro-16-nitro-)

1,4,7,10,13-Benzopentaoxacyclopentadecin-15-amine,2,3,5,6,8,9,11,12-octahydro-16-nitro- structure
77001-50-4 structure
Product Name:1,4,7,10,13-Benzopentaoxacyclopentadecin-15-amine,2,3,5,6,8,9,11,12-octahydro-16-nitro-
CAS No:77001-50-4
MF:C14H20N2O7
MW:328.317804336548
CID:548708
PubChem ID:5098453
Update Time:2025-04-19

1,4,7,10,13-Benzopentaoxacyclopentadecin-15-amine,2,3,5,6,8,9,11,12-octahydro-16-nitro- Chemical and Physical Properties

Names and Identifiers

    • 1,4,7,10,13-Benzopentaoxacyclopentadecin-15-amine,2,3,5,6,8,9,11,12-octahydro-16-nitro-
    • 17-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-18-amine
    • 4,-Amino-5-Nitrobenzo-15-Crown-5
    • 15-Amino-16-nitrobenzo<15>krone-5
    • 2,3,5,6,8,9,11,12-Octahydro-16-nitro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-amin
    • 4'-Amino-5'-nitro-2,3-didehydrobenzo-15-crown-5
    • 4'-Amino-5'-nitrobenzo-15-crown-5
    • Aminonitrobenzo[15]krone-5
    • 4,-Amino-5'-nitrobenzo-15-crown-5
    • FT-0719406
    • SCHEMBL1247180
    • AKOS015889249
    • 18-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-amine
    • 16-nitro-2,3,5,6,8,9,11,12-octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecin-15-amine
    • 77001-50-4
    • 4'-Amino-5'-nitrobenzo-15-crown-5, 97%
    • SR-01000390010-1
    • DTXSID90408293
    • AKOS001586291
    • SR-01000390010
    • 16-nitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-amine
    • STL089738
    • Inchi： 1S/C14H20N2O7/c15-11-9-13-14(10-12(11)16(17)18)23-8-6-21-4-2-19-1-3-20-5-7-22-13/h9-10H,1-8,15H2
    • InChI Key： PSFJQUGCUJJHIS-UHFFFAOYSA-N
    • SMILES： O1CCOCCOCCOCCOC2C=C(C(=CC1=2)[N+](=O)[O-])N

Computed Properties

  • Exact Mass: 328.12700
  • Monoisotopic Mass: 328.12705098g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 0
  • Complexity: 353
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 0.9
  • Topological Polar Surface Area: 118?2

Experimental Properties

  • Density: 1.237
  • Melting Point: 148-151?°C(lit.)
  • Boiling Point: 528°C at 760 mmHg
  • Flash Point: 273.2°C
  • Refractive Index: 1.517
  • PSA: 117.99000
  • LogP: 2.10240

1,4,7,10,13-Benzopentaoxacyclopentadecin-15-amine,2,3,5,6,8,9,11,12-octahydro-16-nitro- Security Information

  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： 26-37/39
  • FLUKA BRAND F CODES：9
  • Hazardous Material Identification： Xi
  • Risk Phrases：R36/37/38

1,4,7,10,13-Benzopentaoxacyclopentadecin-15-amine,2,3,5,6,8,9,11,12-octahydro-16-nitro- Pricemore >>

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