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3,3'-[oxybis(ethane-2,1-diyloxy)]dipropan-1-amine

fo-0c8fe4fac0016426

Identity

Type
Neutral molecule
CAS
4246-51-9
EC
224-207-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3,3'-[oxybis(ethane-2,1-diyloxy)]dipropan-1-amine

Alternative labels

16

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JCEZOHLWDIONSP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H24N2O3/c11-3-1-5-13-7-9-15-10-8-14-6-2-4-12/h1-12H2
IUPAC name chemrof:IUPAC_name 3,3'-[oxybis(ethane-2,1-diyloxy)]dipropan-1-amine
Molecular formula chemrof:molecular_formula C10H24N2O3
Molecular mass chemrof:molecular_mass 220.313
Monoisotopic mass chemrof:monoisotopic_mass 220.178693
SMILES string chemrof:smiles_string NCCCOCCOCCOCCCN

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=4246-51-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.022.007 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.220.533 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6044565 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187499 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/95W232H4RT enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J13.690E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/20239 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27271827 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4d4c0a51-13be-41eb-a035-645d9361a2a1 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
a5f0204a-bd5c-435a-83b7-edef1e273efb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
7294f030-a16b-42e8-b6ef-1c6f9abff6c5 Environmental → Air → Indoor EF 3.1 kg 4
b47a127f-b62f-490c-b58b-ae25f01fbc8d Environmental → Air → Long-term EF 3.1 kg 0
8d9a495b-1db0-4c98-a553-ac1751a39afb Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
02ec2695-51ac-4795-8fc7-0ae8ae411165 Environmental → Air → Unknown EF 3.1 kg 4
68062462-acfe-4ab2-b776-3b6cec99098a Environmental → Ground → Agricultural EF 3.1 kg 4
a32e49f5-8688-4d65-8231-e74f2e77ad37 Environmental → Ground → Non-agricultural EF 3.1 kg 4
e703df5d-6eee-456e-ae9c-45406ecff028 Environmental → Ground → Unknown EF 3.1 kg 4
f797c53a-5b40-4e6d-8f4f-e457f003675c Environmental → Water → Long-term EF 3.1 kg 0
8c37a209-0fe4-4e0c-8b9b-74a2478f2d7e Environmental → Water → Ocean EF 3.1 kg 4
98a80e15-216d-47dc-a254-19c203530012 Environmental → Water → Surface water EF 3.1 kg 4
b4befdac-f5ff-410c-b88b-46e7aee66b41 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
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      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:20239;CAS:4246-51-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4246-51-9]"
      }
    }
  ],
  "created_from": {
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    "seed_uuid": "02ec2695-51ac-4795-8fc7-0ae8ae411165",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "4246-51-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=4246-51-9"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=4246-51-9"
        }
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "224-207-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=224-207-2"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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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

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