Cas no 6611-00-3 (N-[8-(aziridine-1-carbonylamino)octyl]aziridine-1-carboxamide)

N-[8-(aziridine-1-carbonylamino)octyl]aziridine-1-carboxamide structure
6611-00-3 structure
Product Name:N-[8-(aziridine-1-carbonylamino)octyl]aziridine-1-carboxamide
CAS No:6611-00-3
MF:C14H26N4O2
MW:282.381843090057
CID:963300
PubChem ID:97285
Update Time:2025-04-19

N-[8-(aziridine-1-carbonylamino)octyl]aziridine-1-carboxamide Chemical and Physical Properties

Names and Identifiers

    • N-[8-(aziridine-1-carbonylamino)octyl]aziridine-1-carboxamide
    • AC1L3Y73
    • AC1Q5PBL
    • AR-1K2753
    • ENT 50839
    • N,N'-Bis-(aziridin-1-carbonyl)-octandiyldiamin
    • N,N'-bis-(aziridine-1-carbonyl)-octanediyldiamine
    • N,N'-Octamethylenebis(1-aziridineacetamide)
    • N,N'-Octamethylenebis(1-aziridinecarboxamide)
    • n,n'-octane-1,8-diyldiaziridine-1-carboxamide
    • NSC111713
    • UNII-Q5D7G2VD27
    • SCHEMBL224360
    • 6611-00-3
    • NSC-111713
    • NSC 111713
    • DTXSID90216310
    • 1-Aziridinecarboxamide, N,N'-octamethylenebis-
    • 1-Aziridinecarboxamide, N,N'-octamethylenebis- (8CI)
    • AI3-50839
    • 1-Aziridinecarboxamide, N,N'-1,8-octanediylbis-
    • 1-Aziridinecarboxamide,N'-1,8-octanediylbis-
    • ENT-50839
    • Q5D7G2VD27
    • N,N'-1,8-OCTANEDIYLBIS(1-AZIRIDINECARBOXAMIDE)
    • 1-Aziridinecarboxamide,N'-octamethylenebis-
    • Inchi: 1S/C14H26N4O2/c19-13(17-9-10-17)15-7-5-3-1-2-4-6-8-16-14(20)18-11-12-18/h1-12H2,(H,15,19)(H,16,20)
    • InChI Key: GVBWFCRSNJCPMM-UHFFFAOYSA-N
    • SMILES: O=C(NCCCCCCCCNC(N1CC1)=O)N1CC1

Computed Properties

  • Exact Mass: 282.20578
  • Monoisotopic Mass: 282.205576
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 9
  • Complexity: 295
  • 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
  • Topological Polar Surface Area: 64.2
  • XLogP3: 0.9

Experimental Properties

  • Density: 1.18
  • Boiling Point: 583.9°C at 760 mmHg
  • Flash Point: 306.9°C
  • Refractive Index: 1.556
  • PSA: 64.22
  • LogP: 2.03500
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