← Back to consensus flows

Hydroxypropyl bis-hydroxyethyldimonium chloride

UUID 8876aa61-7332-4db9-b2c5-45738a64a7dd
Flow Object IDfo-a9dba3f32196abb1
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 110528-94-4
EC Numbers 807-137-2
prefLabel
Language Value Provenance
en Hydroxypropyl bis-hydroxyethyldimonium chloride
altLabel
Language Value Provenance
en 1,3-Propanediaminium, 2-hydroxy-<em>N</em>,<em>N</em>′-bis(2-hydroxyethyl)-<em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′-tetramethyl-, dichloride
en 1,3-Propanediaminium, 2-hydroxy-<em>N</em><sup>1</sup>,<em>N</em><sup>3</sup>-bis(2-hydroxyethyl)-<em>N</em><sup>1</sup>,<em>N</em><sup>1</sup>,<em>N</em><sup>3</sup>,<em>N</em><sup>3</sup>-tetramethyl-, chloride (1:2)
en Colamoist 200
en Hydroxypropylbishydroxyethyldimonium chloride
en 2-hydroxy-n,n'-bis(2-hydroxyethyl)-n,n,n',n'-tetramethylpropane-1,3-diaminium Dichloride
References
Shared Properties
Predicate Value
InChIKey BWDWHFVTDDCJOY-UHFFFAOYSA-L
InChI InChI=1S/C11H28N2O3.2ClH/c1-12(2,5-7-14)9-11(16)10-13(3,4)6-8-15;;/h11,14-16H,5-10H2,1-4H3;2*1H/q+2;;/p-2
IUPAC name 2-hydroxyethyl-[2-hydroxy-3-[2-hydroxyethyl(dimethyl)ammonio]propyl]-dimethyl-ammonium dichloride, 2-hydroxyethyl-[2-hydroxy-3-[2-hydroxyethyl(dimethyl)ammonio]propyl]-dimethylammonium dichloride, 2-hydroxyethyl-[2-hydroxy-3-[2-hydroxyethyl(dimethyl)azaniumyl]propyl]-dimethylazanium dichloride, 2-hydroxyethyl-[3-[2-hydroxyethyl(dimethyl)azaniumyl]-2-oxidanyl-propyl]-dimethyl-azanium dichloride
Molecular formula C11H28Cl2N2O3
SMILES C[N+](C)(CCO)CC(C[N+](C)(C)CCO)O.[Cl-].[Cl-]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 8876aa61-7332-4db9-b2c5-45738a64a7dd 2-hydroxy-n,n'-bis(2-hydroxyethyl)-n,n,n',n'-tetramethylpropane-1,3-diaminium dichloride

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2-hydroxy-n,n'-bis(2-hydroxyethyl)-n,n,n',n'-tetramethylpropane-1,3-diaminium dichloride Emissions/Emissions to soil/Emissions to non-agricultural soil kg exactMatch

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 consensus_match group_key=2-hydroxy-n,n'-bis(2-hydroxyethyl)-n,n,n',n'-tetramethylpropane-1,3-diaminiumdichloride||dimension=Environmental > media=Water > water_body=Unknown; cas=110528-94-4; added Common Chemistry CAS names as altLabel: 1,3-Propanediaminium, 2-hydroxy-<em>N</em>,<em>N</em>′-bis(2-hydroxyethyl)-<em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′-tetramethyl-, dichloride, 1,3-Propanediaminium, 2-hydroxy-<em>N</em><sup>1</sup>,<em>N</em><sup>3</sup>-bis(2-hydroxyethyl)-<em>N</em><sup>1</sup>,<em>N</em><sup>1</sup>,<em>N</em><sup>3</sup>,<em>N</em><sup>3</sup>-tetramethyl-, chloride (1:2), Colamoist 200, Hydroxypropylbishydroxyethyldimonium chloride; object_uuid=fo-a9dba3f32196abb1
cas_match_labels 1 consensus_match group_key=2-hydroxy-n,n'-bis(2-hydroxyethyl)-n,n,n',n'-tetramethylpropane-1,3-diaminiumdichloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'110528-94-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a9dba3f32196abb1: {'110528-94-4': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,3-Propanediaminium, 2-hydroxy-<em>N</em>,<em>N</em>′-bis(2-hydroxyethyl)-<em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′-tetramethyl-, dichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110528-94-4', 'https://commonchemistry.cas.org/detail?cas_rn=110528-94-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3-Propanediaminium, 2-hydroxy-<em>N</em><sup>1</sup>,<em>N</em><sup>3</sup>-bis(2-hydroxyethyl)-<em>N</em><sup>1</sup>,<em>N</em><sup>1</sup>,<em>N</em><sup>3</sup>,<em>N</em><sup>3</sup>-tetramethyl-, chloride (1:2)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110528-94-4', 'https://commonchemistry.cas.org/detail?cas_rn=110528-94-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Colamoist 200', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110528-94-4', 'https://commonchemistry.cas.org/detail?cas_rn=110528-94-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hydroxypropylbishydroxyethyldimonium chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110528-94-4', 'https://commonchemistry.cas.org/detail?cas_rn=110528-94-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-hydroxy-n,n'-bis(2-hydroxyethyl)-n,n,n',n'-tetramethylpropane-1,3-diaminiumdichloride||dimension=Environmental > media=Water > water_body=Unknown; cas=110528-94-4; added Common Chemistry CAS names as altLabel: 1,3-Propanediaminium, 2-hydroxy-<em>N</em>,<em>N</em>′-bis(2-hydroxyethyl)-<em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′-tetramethyl-, dichloride, 1,3-Propanediaminium, 2-hydroxy-<em>N</em><sup>1</sup>,<em>N</em><sup>3</sup>-bis(2-hydroxyethyl)-<em>N</em><sup>1</sup>,<em>N</em><sup>1</sup>,<em>N</em><sup>3</sup>,<em>N</em><sup>3</sup>-tetramethyl-, chloride (1:2), Colamoist 200, Hydroxypropylbishydroxyethyldimonium chloride; object_uuid=fo-a9dba3f32196abb1
cas_match_labels None {'110528-94-4': 'exactMatch'} group_key=2-hydroxy-n,n'-bis(2-hydroxyethyl)-n,n,n',n'-tetramethylpropane-1,3-diaminiumdichloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'110528-94-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a9dba3f32196abb1: {'110528-94-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "8876aa61-7332-4db9-b2c5-45738a64a7dd",
  "name": null,
  "cas_numbers": [
    "110528-94-4"
  ],
  "ec_numbers": [
    "807-137-2"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 212.79
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 212.79
    }
  ],
  "source": "EF 3.1",
  "identifier": "8876aa61-7332-4db9-b2c5-45738a64a7dd",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "8876aa61-7332-4db9-b2c5-45738a64a7dd",
      "source_flow_name": "2-hydroxy-n,n'-bis(2-hydroxyethyl)-n,n,n',n'-tetramethylpropane-1,3-diaminium dichloride",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to soil",
          "Emissions to non-agricultural soil"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Hydroxypropyl bis-hydroxyethyldimonium chloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:110528-94-4",
          "CID:13949876"
        ],
        "prov:wasDerivedFrom": "pubchem record title"
      }
    }
  ],
  "_sources": {
    "prefLabel": "pubchem_readable_name",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "pubchem_readable_name",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C11H28Cl2N2O3"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13949876"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BWDWHFVTDDCJOY-UHFFFAOYSA-L"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13949876"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C[N+](C)(CCO)CC(C[N+](C)(C)CCO)O.[Cl-].[Cl-]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13949876"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C11H28N2O3.2ClH/c1-12(2,5-7-14)9-11(16)10-13(3,4)6-8-15;;/h11,14-16H,5-10H2,1-4H3;2*1H/q+2;;/p-2"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13949876"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2-hydroxyethyl-[2-hydroxy-3-[2-hydroxyethyl(dimethyl)ammonio]propyl]-dimethyl-ammonium dichloride",
        "2-hydroxyethyl-[2-hydroxy-3-[2-hydroxyethyl(dimethyl)ammonio]propyl]-dimethylammonium dichloride",
        "2-hydroxyethyl-[2-hydroxy-3-[2-hydroxyethyl(dimethyl)azaniumyl]propyl]-dimethylazanium dichloride",
        "2-hydroxyethyl-[3-[2-hydroxyethyl(dimethyl)azaniumyl]-2-oxidanyl-propyl]-dimethyl-azanium dichloride"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13949876"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.234.630",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13949876;CAS:110528-94-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[110528-94-4]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=110528-94-4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "110528-94-4"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID7074583",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13949876;CAS:110528-94-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[110528-94-4]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1EO3O1X7HG",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13949876;CAS:110528-94-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[110528-94-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/13949876",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13949876;CAS:110528-94-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[110528-94-4]"
      }
    },
    {
      "@id": "https://rxnav.nlm.nih.gov/id/rxnorm/1492301",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13949876;CAS:110528-94-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[110528-94-4]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27252331",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13949876;CAS:110528-94-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[110528-94-4]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Propanediaminium, 2-hydroxy-<em>N</em>,<em>N</em>′-bis(2-hydroxyethyl)-<em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′-tetramethyl-, dichloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:110528-94-4",
          "https://commonchemistry.cas.org/detail?cas_rn=110528-94-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Propanediaminium, 2-hydroxy-<em>N</em><sup>1</sup>,<em>N</em><sup>3</sup>-bis(2-hydroxyethyl)-<em>N</em><sup>1</sup>,<em>N</em><sup>1</sup>,<em>N</em><sup>3</sup>,<em>N</em><sup>3</sup>-tetramethyl-, chloride (1:2)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:110528-94-4",
          "https://commonchemistry.cas.org/detail?cas_rn=110528-94-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Colamoist 200",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:110528-94-4",
          "https://commonchemistry.cas.org/detail?cas_rn=110528-94-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hydroxypropylbishydroxyethyldimonium chloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:110528-94-4",
          "https://commonchemistry.cas.org/detail?cas_rn=110528-94-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-hydroxy-n,n'-bis(2-hydroxyethyl)-n,n,n',n'-tetramethylpropane-1,3-diaminium Dichloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "8876aa61-7332-4db9-b2c5-45738a64a7dd"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
    "110528-94-4": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/8876aa61-7332-4db9-b2c5-45738a64a7dd",
        "skos:prefLabel": "2-hydroxy-n,n'-bis(2-hydroxyethyl)-n,n,n',n'-tetramethylpropane-1,3-diaminium dichloride",
        "context": "Emissions/Emissions to soil/Emissions to non-agricultural soil",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/8876aa61-7332-4db9-b2c5-45738a64a7dd"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "flow_object_id": "fo-a9dba3f32196abb1"
}