Cas no 25451-38-1 (1,3-Propanediol, 2-ethyl-2-isopropyl-, dicarbamate)

1,3-Propanediol, 2-ethyl-2-isopropyl-, dicarbamate structure
25451-38-1 structure
Product Name:1,3-Propanediol, 2-ethyl-2-isopropyl-, dicarbamate
CAS No:25451-38-1
MF:C10H20N2O4
MW:232.276803016663
CID:254708
Update Time:2023-08-02

1,3-Propanediol, 2-ethyl-2-isopropyl-, dicarbamate Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediol,2-ethyl-2-isopropyl-, dicarbamate (8CI)
    • 1,3-propanediol, 2-ethyl-2-(1-methylethyl)-, dicarbamate
    • 2-[(Carbamoyloxy)methyl]-2-ethyl-3-methylbutyl carbamate
    • 1,3-Propanediol, 2-ethyl-2-isopropyl-, dicarbamate
    • 2-Ethyl-2-isopropyl-1,3-propanediol dicarbamate
    • Dicarbamic acid 2-ethyl-2-isopropyltrimethylene ester
    • Inchi: 1S/C10H20N2O4/c1-4-10(7(2)3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14)
    • InChI Key: CNVIJMYLRLPXNY-UHFFFAOYSA-N
    • SMILES: O(C(N)=O)CC(COC(N)=O)(CC)C(C)C
    • BRN: 2969223

Computed Properties

  • Exact Mass: 232.142
  • Monoisotopic Mass: 232.142
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 8
  • Complexity: 235
  • 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: 1.2
  • Topological Polar Surface Area: 105

Experimental Properties

  • Density: 1.114
  • Boiling Point: 435°C at 760 mmHg
  • Flash Point: 216.8°C
  • Refractive Index: 1.477
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