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[(bis{6-[bis(phosphonomethyl)amino]hexyl}amino)methyl]phosphonic Acid

UUID 13294e93-047d-4ac3-a6f2-af8aa2f0a20e
Flow Object IDfo-8272f8b560d0a679
Source EF 3.1
Context Environmental → Air → Aircraft cruise height
CAS Numbers 34690-00-1
EC Numbers 252-156-6
prefLabel
Language Value Provenance
en [(bis{6-[bis(phosphonomethyl)amino]hexyl}amino)methyl]phosphonic Acid
altLabel
Language Value Provenance
en (Dihexyltriaminepenta(methylenephosphonic acid))
en <em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[[(Phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis[phosphonic acid]
en BHTPMP
en Bis(hexamethylene)triamine phosphonic acid
en Bis(hexamethylenetriamine)penta(methylenephosphonic acid)
en Bis-hexamethylene triamine phosphonate
en Briquest 5123-45A
en Cublen PEP 56
en Dequest 2090
en Dihexamethylenetriaminepentakis(methylenephosphonic acid)
en Lonza 1704
en N-(6-Aminohexyl)-1,6-hexanediamine penta(methylene phosphonic acid)
en Phosphonic acid, <em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[[(phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis-
en Phosphonic acid, [[(phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis-
en Triaminodihexylenepentakis(methylenephosphonic acid)
en Unihib 1704
References
Shared Properties
Predicate Value
InChIKey SPLCCDNCDMBUIX-FQBLWANUSA-J, YWMWZKYVGNWJPU-UHFFFAOYSA-N
InChI InChI=1S/2C12H22O12.2BrH.2Ca/c2*13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12;;;;/h2*3-10,12-20H,1-2H2,(H,21,22);2*1H;;/q;;;;2*+2/p-4/t2*3-,4-,5+,6+,7-,8-,9-,10-,12+;;;;/m11..../s1, InChI=1S/C17H44N3O15P5/c21-36(22,23)13-18(9-5-1-3-7-11-19(14-37(24,25)26)15-38(27,28)29)10-6-2-4-8-12-20(16-39(30,31)32)17-40(33,34)35/h1-17H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)
IUPAC name [bis[6-[bis(phosphonomethyl)amino]hexyl]amino]methylphosphonic acid, dicalcium;bis((2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate);dibromide, dicalcium;bis((2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanoate);dibromide, dicalcium;bis((2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-hexanoate);dibromide, dicalcium;bis((2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hexanoate);dibromide, dicalcium;bis((2R,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(oxidanyl)hexanoate);dibromide
Molecular formula C17H44N3O15P5, C24H42Br2Ca2O24
SMILES C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)[O-])O)O)O)O)O)O.C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)[O-])O)O)O)O)O)O.[Ca+2].[Ca+2].[Br-].[Br-], C(CCCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O, C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)[O-])O)O)O)O)O)O.C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)[O-])O)O)O)O)O)O.[Ca+2].[Ca+2].[Br-].[Br-]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 13294e93-047d-4ac3-a6f2-af8aa2f0a20e [(bis{6-[bis(phosphonomethyl)amino]hexyl}amino)methyl]phosphonic acid

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 [(bis{6-[bis(phosphonomethyl)amino]hexyl}amino)methyl]phosphonic acid Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere 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=[(bis{6-[bis(phosphonomethyl)amino]hexyl}amino)methyl]phosphonicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=34690-00-1; added Common Chemistry CAS names as altLabel: (Dihexyltriaminepenta(methylenephosphonic acid)), <em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[[(Phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis[phosphonic acid], BHTPMP, Bis(hexamethylene)triamine phosphonic acid, Bis(hexamethylenetriamine)penta(methylenephosphonic acid), Bis-hexamethylene triamine phosphonate, Briquest 5123-45A, Cublen PEP 56, Dequest 2090, Dihexamethylenetriaminepentakis(methylenephosphonic acid), Lonza 1704, N-(6-Aminohexyl)-1,6-hexanediamine penta(methylene phosphonic acid), Phosphonic acid, <em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[[(phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis-, Phosphonic acid, [[(phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis-, Triaminodihexylenepentakis(methylenephosphonic acid), Unihib 1704; object_uuid=fo-8272f8b560d0a679
cas_match_labels 1 consensus_match group_key=[(bis{6-[bis(phosphonomethyl)amino]hexyl}amino)methyl]phosphonicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'34690-00-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8272f8b560d0a679: {'34690-00-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataAircraft cruise height

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(Dihexyltriaminepenta(methylenephosphonic acid))', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34690-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=34690-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[[(Phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis[phosphonic acid]', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34690-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=34690-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'BHTPMP', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34690-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=34690-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bis(hexamethylene)triamine phosphonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34690-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=34690-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bis(hexamethylenetriamine)penta(methylenephosphonic acid)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34690-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=34690-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bis-hexamethylene triamine phosphonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34690-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=34690-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Briquest 5123-45A', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34690-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=34690-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cublen PEP 56', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34690-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=34690-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dequest 2090', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34690-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=34690-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dihexamethylenetriaminepentakis(methylenephosphonic acid)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34690-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=34690-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Lonza 1704', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34690-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=34690-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'N-(6-Aminohexyl)-1,6-hexanediamine penta(methylene phosphonic acid)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34690-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=34690-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphonic acid, <em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[[(phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34690-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=34690-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphonic acid, [[(phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34690-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=34690-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Triaminodihexylenepentakis(methylenephosphonic acid)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34690-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=34690-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Unihib 1704', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34690-00-1', 'https://commonchemistry.cas.org/detail?cas_rn=34690-00-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=[(bis{6-[bis(phosphonomethyl)amino]hexyl}amino)methyl]phosphonicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=34690-00-1; added Common Chemistry CAS names as altLabel: (Dihexyltriaminepenta(methylenephosphonic acid)), <em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[[(Phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis[phosphonic acid], BHTPMP, Bis(hexamethylene)triamine phosphonic acid, Bis(hexamethylenetriamine)penta(methylenephosphonic acid), Bis-hexamethylene triamine phosphonate, Briquest 5123-45A, Cublen PEP 56, Dequest 2090, Dihexamethylenetriaminepentakis(methylenephosphonic acid), Lonza 1704, N-(6-Aminohexyl)-1,6-hexanediamine penta(methylene phosphonic acid), Phosphonic acid, <em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[[(phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis-, Phosphonic acid, [[(phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis-, Triaminodihexylenepentakis(methylenephosphonic acid), Unihib 1704; object_uuid=fo-8272f8b560d0a679
cas_match_labels None {'34690-00-1': 'exactMatch'} group_key=[(bis{6-[bis(phosphonomethyl)amino]hexyl}amino)methyl]phosphonicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'34690-00-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8272f8b560d0a679: {'34690-00-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "13294e93-047d-4ac3-a6f2-af8aa2f0a20e",
  "name": null,
  "cas_numbers": [
    "34690-00-1"
  ],
  "ec_numbers": [
    "252-156-6"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Aircraft cruise height"
  },
  "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": 3.4848
    },
    {
      "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": 3.4848
    }
  ],
  "source": "EF 3.1",
  "identifier": "13294e93-047d-4ac3-a6f2-af8aa2f0a20e",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
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      "source_flow_name": "[(bis{6-[bis(phosphonomethyl)amino]hexyl}amino)methyl]phosphonic acid",
      "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 air",
          "Emissions to lower stratosphere and upper troposphere"
        ]
      }
    }
  ],
  "prefLabel": [
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      "@value": "[(bis{6-[bis(phosphonomethyl)amino]hexyl}amino)methyl]phosphonic Acid",
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  "_sources": {
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    "context": "default_context_mapping",
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  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
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      "@value": [
        "C17H44N3O15P5",
        "C24H42Br2Ca2O24"
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      "@value": [
        "C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)[O-])O)O)O)O)O)O.C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)[O-])O)O)O)O)O)O.[Ca+2].[Ca+2].[Br-].[Br-]",
        "C(CCCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O",
        "C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)[O-])O)O)O)O)O)O.C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)[O-])O)O)O)O)O)O.[Ca+2].[Ca+2].[Br-].[Br-]"
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      "@id": "https://w3id.org/chemrof/inchi2d_string",
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "[bis[6-[bis(phosphonomethyl)amino]hexyl]amino]methylphosphonic acid",
        "dicalcium;bis((2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate);dibromide",
        "dicalcium;bis((2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanoate);dibromide",
        "dicalcium;bis((2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-hexanoate);dibromide",
        "dicalcium;bis((2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hexanoate);dibromide",
        "dicalcium;bis((2R,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(oxidanyl)hexanoate);dibromide"
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