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1,1-bis(4-ethoxyphenyl)-2-nitropropane

fo-ee732ae111691723

Identity

Type
Neutral molecule
CAS
26258-70-8
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,1-bis(4-ethoxyphenyl)-2-nitropropane

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string TZAHJOSARIOWIQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H23NO4/c1-4-23-17-10-6-15(7-11-17)19(14(3)20(21)22)16-8-12-18(13-9-16)24-5-2/h6-14,19H,4-5H2,1-3H3
IUPAC name chemrof:IUPAC_name 1,1-bis(4-ethoxyphenyl)-2-nitropropane
Molecular formula chemrof:molecular_formula C19H23NO4
Molecular mass chemrof:molecular_mass 329.396
Monoisotopic mass chemrof:monoisotopic_mass 329.162708
SMILES string chemrof:smiles_string CCOc1ccc(C(c2ccc(OCC)cc2)C(C)[N+](=O)[O-])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=26258-70-8 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20897338 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J851.844K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/33441 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q82873304 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8b95c166-38b0-4d69-b9ef-a2040e2cd1b6 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6256b510-604c-427d-bada-dfeb09d6d680 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
df1cd1ac-2d0a-4b09-9237-3aa8a9acd7df Environmental → Air → Indoor EF 3.1 kg 2
1b84fd48-cac6-424a-a8e8-921ea4e1cdc9 Environmental → Air → Long-term EF 3.1 kg 0
b8df8dbc-7b4d-471f-9aa2-c5677b80e000 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
1ccda805-80f2-4d4d-bdba-123a1cba8798 Environmental → Air → Unknown EF 3.1 kg 2
11a5cc6a-913d-4f86-ba71-48dc1aa4023a Environmental → Ground → Agricultural EF 3.1 kg 2
b9451861-bcfd-40f6-979b-083837409a42 Environmental → Ground → Non-agricultural EF 3.1 kg 2
fffa4786-5e09-4a83-82c6-e20505dbda02 Environmental → Ground → Unknown EF 3.1 kg 2
9163b852-afec-419b-af7a-4d44067c48db Environmental → Water → Long-term EF 3.1 kg 0
773c7cbb-83d1-4c0a-8fde-78da2db715a0 Environmental → Water → Ocean EF 3.1 kg 2
49cf198c-1c61-47b0-a7f2-4c7945efcfbd Environmental → Water → Surface water EF 3.1 kg 2
e46b2ea5-e29d-49b8-86f0-4c0ea71902c8 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-ee732ae111691723",
  "prefLabel": [
    {
      "@value": "1,1-bis(4-ethoxyphenyl)-2-nitropropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1-Bis(p-ethoxyphenyl)-2-nitropropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26258-70-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1′-(2-Nitropropylidene)bis[4-ethoxybenzene]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "CAS:26258-70-8",
          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "AI 3-27990",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1,1′-(2-nitropropylidene)bis[4-ethoxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ENP",
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      }
    },
    {
      "@value": "Propane, 1,1-bis(p-ethoxyphenyl)-2-nitro-",
      "@language": "en",
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      ]
    },
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    "https://w3id.org/chemrof/molecular_mass": {
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      "provenance": [
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      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
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  },
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    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
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  "@type": [
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  ]
}

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