Consensus flow list

Identity

Type
NeutralMolecule
CAS
4402-30-6
EC
224-536-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,1'-(methylimino)dipropan-2-ol

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XKQMKMVTDKYWOX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H17NO2/c1-6(9)4-8(3)5-7(2)10/h6-7,9-10H,4-5H2,1-3H3
IUPAC name chemrof:IUPAC_name 1,1'-(methylimino)dipropan-2-ol
Molecular formula chemrof:molecular_formula C7H17NO2
Molecular mass chemrof:molecular_mass 147.218
Monoisotopic mass chemrof:monoisotopic_mass 147.125929
SMILES string chemrof:smiles_string CC(O)CN(C)CC(C)O

Known URLs

7

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=4402-30-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.022.307 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80883550 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=27467 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J111.312G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/95655 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82862473 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2d07deb0-b20b-411c-bd38-f935b553723d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f46eaa0c-f353-4452-b8a6-e0e9d8e87cae Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e6d1a7c5-0225-4922-8f6c-6924916f466b Environmental → Air → Indoor EF 3.1 kg 2
2998d0c9-0d0b-4c29-8f6f-9293a083f443 Environmental → Air → Long-term EF 3.1 kg 0
297afa55-d599-4f03-8ebf-d37dd200afed Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e513f63b-0b9f-4fca-95f7-97ea9518c797 Environmental → Air → Unknown EF 3.1 kg 2
81a6606a-7d46-4167-b6af-0c03e0ce4206 Environmental → Ground → Agricultural EF 3.1 kg 2
a94e7b26-4e5d-45aa-9b08-b8402b0972cf Environmental → Ground → Non-agricultural EF 3.1 kg 2
f02cd11c-939a-47c7-b684-3f42bb733a58 Environmental → Ground → Unknown EF 3.1 kg 2
94354616-2965-48f9-97e8-fd139bf4b94e Environmental → Water → Long-term EF 3.1 kg 0
7cb5b29f-ae50-4be0-85bd-8bd996475959 Environmental → Water → Ocean EF 3.1 kg 2
3837cf2e-99ab-43ab-92ad-874f0be61679 Environmental → Water → Surface water EF 3.1 kg 2
4ad5d2ea-c7b9-45cc-8330-769010f48b6a 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-0fc6d661d0d8a378",
  "prefLabel": [
    {
      "@value": "1,1'-(methylimino)dipropan-2-ol",
      "@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′-(Methylimino)bis[2-propanol]",
      "@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=4402-30-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1′-(N-Methylimino)di(2-propanol)",
      "@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=4402-30-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-[(2-Hydroxypropyl)(methyl)amino]propan-2-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-[2-Hydroxypropyl(methyl)amino]propan-2-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propanol, 1,1′-(methylimino)bis-",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "2-Propanol, 1,1′-(methylimino)di-",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "[Bis(2-hydroxypropyl)amino]methane",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Bis(2-hydroxypropyl)methylamine",
      "@language": "en",
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      }
    },
    {
      "@value": "Methylbis(2-hydroxypropyl)amine",
      "@language": "en",
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      }
    },
    {
      "@value": "Methyldiisopropanolamine",
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        ],
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    },
    {
      "@value": "N,N-Bis(2-hydroxypropyl)methylamine",
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        ],
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      }
    },
    {
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      }
    },
    {
      "@value": "N-Methyldiisopropanolamine",
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  "@type": [
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}

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