chempirical

Pentaerythritol tetranitrate

C5H8N4O12CAS 78-11-5316.13 g/mol

Open in Covalent MOL file
ON+O−OON+OO−ON+OO−ON+OO−
Nitro

Properties

Molecular formula
C5H8N4O12
Molar mass
316.13 g/mol
Exact mass
316.0139 Da
Density
1.773 g/mL (at 20 °C)
Melting point
140 °C
Boiling point
180 °C (at 50 Torr)
logP
-1.19Crippen estimate
Polar surface area
209.5 Ų
H-bond donors / acceptors
0 / 12
Rotatable bonds
12

Identifiers

CAS number
78-11-5
SMILES
O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]
InChIKey
TZRXHJWUDPFEEY-UHFFFAOYSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

95 names · show all
  • 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
  • Antora
  • Arcotrate
  • Baritrate
  • 2,2-Bis(hydroxymethyl)-1,3-propanediol tetranitrate
  • CHot
  • Deltrate 20
  • Duotrate
  • Erinit
  • Hasethrol
  • Kaytrate
  • Lowetrate
  • Martrate 45
  • Metranil
  • Mycardol
  • Myotrate 10
  • neo-Corovas
  • Neopentanetetrayl nitrate
  • Niperyt
  • Niperyth
  • Nitropenta
  • Nitropentaerythrite
  • Nitropentaerythritol
  • Nitrotalans
  • Pencard
  • Pentaerythrityl tetranitrate
  • Pentafin
  • Pentanitrine
  • Pentestan 80
  • Pentetrate unicelles
  • Penthrit
  • Penthrite
  • Pentitrate
  • Pentrate
  • Pentrite
  • Pentritol
  • Pentryate
  • Pergitral
  • Peridex LA
  • Peritrate
  • Perityl
  • PETN
  • Prevangor
  • Quintrate
  • Rythritol
  • Subicard
  • Tanipent
  • Tentrate 20
  • Tetranitropentaerythrite
  • Tetrasule
  • Tranite D-lay
  • Vasodiatol
  • Vaso 80 unicelles
  • Nitropenton
  • Extex
  • TEN
  • Tetranitropentaerythritol
  • XTX 8003
  • Nitropenta 7W
  • Vasolat
  • Pentanitrol
  • Lentrat
  • Pentral 80
  • Dipentrate
  • Dilcoran 80
  • Peridex
  • Cardiacap
  • Nitropent
  • Nitrinal
  • Pen-tetra
  • Pentrinat
  • Nitro-riletten
  • Nitrin
  • Nitrine
  • Nitrolong
  • Penta
  • Pentaerithrityl tetranitrate
  • LX 13
  • PBXN 301
  • LX 02-1
  • LX 08-0
  • LX 16
  • LX 16 (explosive)
  • C 2
  • C 2 (Explosive)
  • Terpate
  • Pentafilin
  • Tena
  • Tena (explosive)
  • PENT
  • PP 83

Work with Pentaerythritol tetranitrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethylene glycol dinitrate628-96-657 % similar Ethyl nitrate625-58-150 % similar Diethylene glycol dinitrate693-21-050 % similar Propyl nitrate627-13-446 % similar Nitroglycerin55-63-044 % similar Butyl nitrate928-45-043 % similar Amyl nitrate1002-16-041 % similar Isoamyl nitrate543-87-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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