Cas no 78149-92-5 (1,5-Pentanediol,dicarbamate (9CI))

1,5-Pentanediol,dicarbamate (9CI) structure
78149-92-5 structure
Product Name:1,5-Pentanediol,dicarbamate (9CI)
CAS No:78149-92-5
MF:C7H14N2O4
MW:190.197062015533
CID:568559
PubChem ID:3060474
Update Time:2025-04-19

1,5-Pentanediol,dicarbamate (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,5-Pentanediol,dicarbamate (9CI)
    • Carbamic acid, pentamethylene ester
    • 5-carbamoyloxypentyl carbamate
    • DTXSID40228802
    • 1,5-Pentanediol, dicarbamate
    • 78149-92-5
    • pentane-1,5-diyl dicarbamate
    • AKOS006280153
    • SCHEMBL2746089
    • BRN 1782755
    • Inchi: 1S/C7H14N2O4/c8-6(10)12-4-2-1-3-5-13-7(9)11/h1-5H2,(H2,8,10)(H2,9,11)
    • InChI Key: NEMGHZMONCORDC-UHFFFAOYSA-N
    • SMILES: O(C(N)=O)CCCCCOC(N)=O

Computed Properties

  • Exact Mass: 190.095
  • Monoisotopic Mass: 190.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 8
  • Complexity: 154
  • 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
  • XLogP3: -0.1
  • Topological Polar Surface Area: 105?2

Experimental Properties

  • Density: 1.2
  • Boiling Point: 435.4°C at 760 mmHg
  • Flash Point: 257.7°C
  • Refractive Index: 1.481
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