Pentaerythritol, tetranitrate

CAS Registry Number®

78-11-5

CAS Name

Pentaerythritol, tetranitrate

Molecular Formula

C5H8N4O12

Molecular Mass

316.14

Cite this Page

Pentaerythritol, tetranitrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78-11-5 (retrieved 2024-11-22) (CAS RN: 78-11-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    180 °C @ Press: 50 Torr

  • Melting Point (1)

    140 °C

  • Density (1)

    1.773 g/cm³ @ Temp: 20 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C5H8N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2

InChIKey

InChIKey=TZRXHJWUDPFEEY-UHFFFAOYSA-N

SMILES

C(CON(=O)=O)(CON(=O)=O)(CON(=O)=O)CON(=O)=O

Canonical SMILES

O=N(=O)OCC(CON(=O)=O)(CON(=O)=O)CON(=O)=O

Other Names for this Substance

  • 1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, 1,3-dinitrate
  • Pentaerythritol, tetranitrate
  • 1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate (ester)
  • Angicap
  • Angitet

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Deleted or Replaced CAS Registry Numbers

103842-90-6, 108736-71-6, 53025-84-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration