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1-(3-(2-methoxy-5-nitrophenoxy)propyl)-4-methylpiperazine

fo-2f65cc11e8151413

Identity

Type
Neutral molecule
CAS
846023-54-9
EC
700-445-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 1-(3-(2-methoxy-5-nitrophenoxy)propyl)-4-methylpiperazine

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GIODEEXALCHTQP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H23N3O4/c1-16-7-9-17(10-8-16)6-3-11-22-15-12-13(18(19)20)4-5-14(15)21-2/h4-5,12H,3,6-11H2,1-2H3
IUPAC name chemrof:IUPAC_name 1-(3-(2-methoxy-5-nitrophenoxy)propyl)-4-methylpiperazine
Molecular formula chemrof:molecular_formula C15H23N3O4
Molecular mass chemrof:molecular_mass 309.366
Monoisotopic mass chemrof:monoisotopic_mass 309.168856
SMILES string chemrof:smiles_string COc1ccc([N+](=O)[O-])cc1OCCCN1CCN(C)CC1

Known URLs

5

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=846023-54-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.149.066 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60676922 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/46864058 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q82599838 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
26656708-084a-49bb-894d-e7f9f6959d26 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d1a89723-2261-4520-8eff-fdabb3672e7f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e5386ff6-5a0e-44a6-8da6-b808d1766c14 Environmental → Air → Indoor EF 3.1 kg 2
f5e75586-6f18-4647-bda2-8090714db2c8 Environmental → Air → Long-term EF 3.1 kg 0
c4502aa9-8b10-4584-9ebc-382788b6ab90 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
22bc6fa8-a7b2-4aa1-9eb5-04139885225a Environmental → Air → Unknown EF 3.1 kg 2
a8690445-d784-4a78-8f90-d5cddd1f349d Environmental → Ground → Agricultural EF 3.1 kg 2
1eb8bad3-a6af-4458-b4b7-d21908301ce0 Environmental → Ground → Non-agricultural EF 3.1 kg 2
03a0c099-2710-4c3a-b10e-9da803c25233 Environmental → Ground → Unknown EF 3.1 kg 2
42b6d185-e528-465a-8c27-c6f6f19dce33 Environmental → Water → Long-term EF 3.1 kg 0
ce580608-8731-4533-acb5-f7a22f2f8018 Environmental → Water → Ocean EF 3.1 kg 2
ab786c3d-f2e7-465c-afba-93c7229c0090 Environmental → Water → Surface water EF 3.1 kg 2
6f278602-b395-4b0d-86bf-b6d904a71727 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-2f65cc11e8151413",
  "prefLabel": [
    {
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      "@language": "en",
      "@lang": "en",
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  ],
  "altLabel": [
    {
      "@value": "1-[3-(2-Methoxy-5-nitrophenoxy)propyl]-4-methylpiperazine",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Piperazine, 1-[3-(2-methoxy-5-nitrophenoxy)propyl]-4-methyl-",
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      "attested_by": {
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      },
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
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  "created_from": {
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    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      "provenance": {
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  },
  "classifications": {
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  "origin_qualifier": null,
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  "@type": [
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  ]
}

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