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2-diisopropylaminoethanol

fo-664991b36a0f75b2

Identity

Type
Neutral molecule
CAS
96-80-0
EC
202-536-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-diisopropylaminoethanol

Alternative labels

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZYWUVGFIXPNBDL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H19NO/c1-7(2)9(5-6-10)8(3)4/h7-8,10H,5-6H2,1-4H3
IUPAC name chemrof:IUPAC_name 2-diisopropylaminoethanol
Molecular formula chemrof:molecular_formula C8H19NO
Molecular mass chemrof:molecular_mass 145.246
Monoisotopic mass chemrof:monoisotopic_mass 145.146664
SMILES string chemrof:smiles_string CC(C)N(CCO)C(C)C

Known URLs

12

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=96-80-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.307 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6021822 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=45475 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL122184 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DK7FND4TJZ enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2922.18.00.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.788D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7313 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1760 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q6951322 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/N,N-Diisopropylaminoethanol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
dae6a4d5-3046-4c8c-a36a-6aeb04512d79 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
087b20fe-bded-4c77-a0f6-75176cd802b9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c3694060-f8b7-4501-bd92-2d8a7b2301ab Environmental → Air → Indoor EF 3.1 kg 2
3842be5f-12dd-4d9e-9ff3-93f99f6c958d Environmental → Air → Long-term EF 3.1 kg 0
fbbe5c17-66ce-4181-b2bb-b9b5ab956ddc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8f2e97ea-b815-4b7b-ae7c-329274336fd1 Environmental → Air → Unknown EF 3.1 kg 2
53e81778-2f44-49b3-b557-57750363f2be Environmental → Ground → Agricultural EF 3.1 kg 2
df3e848e-8d54-45b6-9db9-233d9ba56c98 Environmental → Ground → Non-agricultural EF 3.1 kg 2
8bbd1a23-f526-4d0c-ae2d-505024fd02a3 Environmental → Ground → Unknown EF 3.1 kg 2
dca9777d-6fee-4266-87b6-2baf00ab47ed Environmental → Water → Long-term EF 3.1 kg 0
362e2b77-43e9-4a56-921c-35b52853f009 Environmental → Water → Ocean EF 3.1 kg 2
9da6d206-400d-4032-adcc-aa5b56d85d57 Environmental → Water → Surface water EF 3.1 kg 2
8461a700-556e-4948-b023-46cab672ef8d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-664991b36a0f75b2",
  "prefLabel": [
    {
      "@value": "2-diisopropylaminoethanol",
      "@language": "en",
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    }
  ],
  "altLabel": [
    {
      "@value": "(Diisopropylamino)ethanol",
      "@language": "en",
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      }
    },
    {
      "@value": "(N,N-Diisopropylamino)ethanol",
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    },
    {
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    {
      "@value": "2-(Diisopropylamino)ethyl alcohol",
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      "@value": "2-[Bis(1-methylethyl)amino]ethanol",
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    {
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    {
      "@value": "Monoethanoldiisopropylamine",
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    {
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          "CID:7313;CAS:96-80-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96-80-0]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "087b20fe-bded-4c77-a0f6-75176cd802b9",
    "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": [
        "96-80-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=96-80-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=96-80-0"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "202-536-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=202-536-2"
      ],
      "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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