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1,6-bis[2,2-dimethyl-3-(n-morpholino)-propylideneamino]-hexane

fo-758220c6702176e6

Identity

Type
Neutral molecule
CAS
1217271-49-2
EC
700-570-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,6-bis[2,2-dimethyl-3-(n-morpholino)-propylideneamino]-hexane

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BVUYTWFHWBDUQZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C24H46N4O2/c1-23(2,21-27-11-15-29-16-12-27)19-25-9-7-5-6-8-10-26-20-24(3,4)22-28-13-17-30-18-14-28/h19-20H,5-18,21-22H2,1-4H3
IUPAC name chemrof:IUPAC_name 1,6-Hexanediamine, N1,N6-bis[2,2-dimethyl-3-(4-morpholinyl)propylidene]-
Molecular formula chemrof:molecular_formula C24H46N4O2
Molecular mass chemrof:molecular_mass 422.658
Monoisotopic mass chemrof:monoisotopic_mass 422.362077
SMILES string chemrof:smiles_string CC(C)(C=NCCCCCCN=CC(C)(C)CN1CCOCC1)CN1CCOCC1

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=1217271-49-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.205.171 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID801045043 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/89999256 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126682837 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
feed12fc-051b-48d3-b69d-9ce3d8e6578d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b5e910cd-0b6b-40f5-97df-ae897b741f5d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
81ed9b3d-4bf7-46e9-b3f9-0cbeb06ae7c3 Environmental → Air → Indoor EF 3.1 kg 2
7ad700d2-6ae2-4f42-bc7f-5ff0a3e189ca Environmental → Air → Long-term EF 3.1 kg 0
f126a39f-0c8d-4184-98e0-b19f1d51df23 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
90a5514e-0ab1-439e-8d72-f9e68f90774a Environmental → Air → Unknown EF 3.1 kg 2
9ef6531d-72d0-45d4-aaa7-48d2d4459529 Environmental → Ground → Agricultural EF 3.1 kg 2
3ca8f89b-1d57-4a87-9f04-a36012c71390 Environmental → Ground → Non-agricultural EF 3.1 kg 2
196d960c-753f-4a13-ab9f-b1a3876a55a7 Environmental → Ground → Unknown EF 3.1 kg 2
071f968c-4357-4d81-b74c-c0f691164fb4 Environmental → Water → Long-term EF 3.1 kg 0
782c4430-e495-405a-a5c4-bf0320772090 Environmental → Water → Ocean EF 3.1 kg 2
4e439909-c34a-4117-af2e-6664543d9fb3 Environmental → Water → Surface water EF 3.1 kg 2
99a066cc-d2d4-4e90-a8de-22727286f294 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-758220c6702176e6",
  "prefLabel": [
    {
      "@value": "1,6-bis[2,2-dimethyl-3-(n-morpholino)-propylideneamino]-hexane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,6-Hexanediamine, N1,N6-bis[2,2-dimethyl-3-(4-morpholinyl)propylidene]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N1,N6-Bis[2,2-dimethyl-3-(4-morpholinyl)propylidene]-1,6-hexanediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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  ],
  "properties": {
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      "@value": [
        "C24H46N4O2"
      ],
      "attested_by": {
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        ]
      },
      "rdfs:label": "Molecular formula",
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      ],
      "attested_by": {
        "InChI=1S/C24H46N4O2/c1-23(2,21-27-11-15-29-16-12-27)19-25-9-7-5-6-8-10-26-20-24(3,4)22-28-13-17-30-18-14-28/h19-20H,5-18,21-22H2,1-4H3": [
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      "rdfs:label": "IUPAC name",
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      ],
      "provenance": {
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        ]
      },
      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      "provenance": [
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      ],
      "attested_by": {
        "422.658": [
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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": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        422.362077
      ],
      "provenance": [
        {
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          "prov:hadPrimarySource": [
            "CC(C)(CN1CCOCC1)C=NCCCCCCN=CC(C)(C)CN2CCOCC2"
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        },
        {
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          ]
        }
      ],
      "attested_by": {
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      },
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    }
  },
  "references": [
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      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[1217271-49-2]"
      }
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "071f968c-4357-4d81-b74c-c0f691164fb4",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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      }
    }
  },
  "classifications": {
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      "@value": [
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=1217271-49-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      ],
      "provenance": {
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        "prov:wasDerivedFrom": "ec_numbers"
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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