Pentaerithrityl Tetranitrate
fo-bf3f269216950b90
Identity
- Type
- Neutral molecule
- CAS
- 78-11-5
- EC
- 201-084-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
91- 1,3-dinitrato-2,2-bis(nitratomethyl)propane
- 1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, 1,3-dinitrate
- 1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate (ester)
- 2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate
- 2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate ester
- 2,2-bis(hydroxymethyl)-1,3-propanediol tetranitrate
- 3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propyl nitrate
- Angicap
- Angitet
- Antora
- Arcotrate
- Baritrate
- Cardiacap
- CHot
- corpent
- Deltrate 20
- Dilcoran 80
- Dipentrate
- Duotrate
- Erinit
- Extex
- Hasethrol
- Kaytrate
- Lentrat
- Lowetrate
- LX 02-1
- LX 08-0
- Martrate 45
- Metranil
- Mycardol
- Myotrate 10
- Neo-Corovas
- neopentanetetrayl nitrate
- Niperyt
- Niperyth
- Nitrinal
- Nitro-Riletten
- Nitrolong
- Nitropent
- nitropenta
- Nitropenta 7W
- nitropentaerythrite
- nitropentaerythritol
- Nitropenton
- Nitrotalans
- Pen-Tetra
- Pencard
- PENT
- pentaerithrityli tetranitras
- pentaerythritol tetranitrate
- Pentaerythritol, tetranitrate
- Pentaerythrityl tetranitrate
- pentaerythritylium tetranitricum
- Pentafilin
- Pentafin
- Pentanitrine
- Pentanitrol
- Pentestan 80
- Pentetrate Unicelles
- Penthrit
- penthrite
- Pentitrate
- Pentral 80
- Pentrate
- Pentrinat
- Pentrite
- Pentritol
- Pentryate
- Pergitral
- Peridex LA
- Peritrate
- Perityl
- PETN
- Prevangor
- Quintrate
- Rythritol
- Subicard
- Tanipent
- Tena
- Tena (explosive)
- Tentrate 20
- Terpate
- tetranitrate de pentaerithrityle
- tetranitrato de pentaeritritilo
- Tetranitropentaerythrite
- tetranitropentaerythritol
- Tetrasule
- Tranite D-Lay
- Vaso 80 Unicelles
- Vasodiatol
- Vasolat
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | TZRXHJWUDPFEEY-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | 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 |
| IUPAC name chemrof:IUPAC_name | 2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate |
| Molecular formula chemrof:molecular_formula | C5H8N4O12 |
| Molecular mass chemrof:molecular_mass | 316.135 |
| Monoisotopic mass chemrof:monoisotopic_mass | 316.01387, 316.013872 |
| SMILES string chemrof:smiles_string | O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-] |
Known URLs
25Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=78-11-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:25879 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.987 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.209.185 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.238.414 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1576 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2023430 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB06154 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:2087 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/2087 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL466659 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/10L39TRG1Z | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0256253 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.951H | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/D01721 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/D01721 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53988 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47660 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL466659 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6518 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#0150 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#0411 | enrich_references.pubchem_identifier_url |
| reaxys | reaxys:1716886 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q189334 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Pentaerythritol_tetranitrate | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| b73ca751-9eb3-47e9-b789-786021a9437e | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| c0edff74-ec3c-48a3-9c81-b01f0a827fa3 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 434da8a9-57b3-4995-9c47-8d77b74b063b | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 2d2ac5cb-4b6a-4ae2-84af-cb1e27288ea0 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| facf59e4-d6fb-4ad0-a5ca-2af056417b5d | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 04ea3cb1-24ee-4dd1-917b-5521a35cc45d | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 6a282649-2279-4c4c-8260-1da9894d76b3 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| c5414a9f-cc20-465e-9f86-4ec0802122cb | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| e06dcde3-0f95-407d-8f73-57dd9461ce49 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 4cdfd1e2-e380-43fa-a83c-29a38560cebc | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 626a9194-9d4e-47e0-9a78-39caadb36fb5 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| dd960fd8-1f7e-4eaa-b25a-b4c7053899f4 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| f7a4a68c-da8f-40ac-bb74-11b0e751841a | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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},
{
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{
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"@value": "Extex",
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},
{
"@value": "Hasethrol",
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{
"@value": "Kaytrate",
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{
"@value": "Lentrat",
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{
"@value": "Lowetrate",
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},
{
"@value": "LX 02-1",
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{
"@value": "LX 08-0",
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},
{
"@value": "Martrate 45",
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},
{
"@value": "Metranil",
"@language": "en",
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},
{
"@value": "Mycardol",
"@language": "en",
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},
{
"@value": "Myotrate 10",
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},
{
"@value": "Neo-Corovas",
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},
{
"@value": "neopentanetetrayl nitrate",
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"https://w3id.org/chemrof/NeutralMolecule"
]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works