Consensus flow list

Identity

Type
NeutralMolecule
CAS
153719-38-1
EC
431-060-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-nitro-n-(3-methyl-3,6-dihydro-2h-1,3,5-oxadiazin-4-yl)amine

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GAYLOVDFGKQKCJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H8N4O3/c1-7-3-11-2-5-4(7)6-8(9)10/h2-3H2,1H3,(H,5,6)
IUPAC name chemrof:IUPAC_name 2H-1,3,5-Oxadiazin-4-amine, 3,6-dihydro-3-methyl-N-nitro-
Molecular formula chemrof:molecular_formula C4H8N4O3
Molecular mass chemrof:molecular_mass 160.133
Monoisotopic mass chemrof:monoisotopic_mass 160.05964
SMILES string chemrof:smiles_string CN1COCN=C1N[N+](=O)[O-]

Known URLs

9

Where 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=153719-38-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.107.116 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30447146 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.080.251I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10888198 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/135421448 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/135442219 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/136277959 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72465564 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
39c71444-89bb-45ce-81b1-8b0f5ff76056 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
6d3ec58a-462d-4dac-8fe8-5910e02e3904 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
b4b5df09-cd23-4669-8095-6b272beff916 Environmental → Air → Indoor EF 3.1 kg 4
cbd222c2-2153-444a-9e62-76fa405e47b9 Environmental → Air → Long-term EF 3.1 kg 0
dae9622e-50fe-4d0a-9830-3ba83bf54626 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fdf37261-4d88-454c-9d25-84509bf1b72f Environmental → Air → Unknown EF 3.1 kg 4
d19dd49e-f996-4777-80fc-1771d6b3205c Environmental → Ground → Agricultural EF 3.1 kg 4
4152daf2-6700-448a-b943-37e1561da745 Environmental → Ground → Non-agricultural EF 3.1 kg 4
0a6a7e97-4b2b-46ad-95d3-345535390f57 Environmental → Ground → Unknown EF 3.1 kg 4
7212cb21-4be0-4494-bb79-1a3b7948db10 Environmental → Water → Long-term EF 3.1 kg 0
3b80ffb7-6eb4-49f5-83d7-9a7b8863e285 Environmental → Water → Ocean EF 3.1 kg 4
b9560945-9037-4aa7-a161-ca6ea3213e40 Environmental → Water → Surface water EF 3.1 kg 4
15162b14-f78a-45e6-983c-0bd5c4c01041 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f04d2b64e88b52a6",
  "prefLabel": [
    {
      "@value": "N-nitro-n-(3-methyl-3,6-dihydro-2h-1,3,5-oxadiazin-4-yl)amine",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2H-1,3,5-Oxadiazin-4-amine, 3,6-dihydro-3-methyl-N-nitro-",
      "@language": "en",
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    },
    {
      "@value": "3,6-Dihydro-3-methyl-N-nitro-2H-1,3,5-oxadiazin-4-amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methyl-4-nitroimino-tetrahydro-1,3,5-oxadiazine",
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    },
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}

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