Ammonium Hydrogen {[bis(phosphonomethyl)amino]methyl}phosphonate

Aminotrimethylenephosphonic acid ammonium salt
Aminotris(methylenephosphonic acid) ammonium salt
Ammonium nitrilotris(methylenephosphonate)
Nitrilo-tris(methylene)phosphonic acid ammonium salt
Phosphonic acid, [nitrilotris(methylene)]tri-, ammonium salt
Phosphonic acid, [nitrilotris(methylene)]tris-, ammonium salt
Phosphonic acid, P,P′,P′′-[nitrilotris(methylene)]tris-, ammonium salt (1:?)

Property	Value
InChI2D key string chemrof:inchi2d_key_string	QLBMTYBUHJKAQD-UHFFFAOYSA-I
InChI2D string chemrof:inchi2d_string	InChI=1S/C3H12NO9P3.H3N/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);1H3/p-5
IUPAC name chemrof:IUPAC_name	ammonium 1-phosphonato-N,N-bis(phosphonatomethyl)methanamine, ammonium tris(phosphonatomethyl)amine, azanium 1-phosphonato-N,N-bis(phosphonatomethyl)methanamine
Molecular formula chemrof:molecular_formula	C3H10N2O9P3-5
Molecular mass chemrof:molecular_mass	311.04
Monoisotopic mass chemrof:monoisotopic_mass	310.962658
SMILES string chemrof:smiles_string	C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[NH4+]

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=34274-28-7	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.047.174	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/161809	enrich_references.pubchem_compound

Flow	Context	Source	Unit	CFs
da9f3b06-7495-466c-bb8e-665303429de4	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
e2eebcf8-f62b-4ed8-9763-5d7fb2447307	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
0708c86b-5a10-4a93-b7f8-d013b3a68d07	Environmental → Air → Indoor	EF 3.1	kg	2
be5c9db8-72c2-4b0b-b3c5-597ef9bad9a7	Environmental → Air → Long-term	EF 3.1	kg	0
4cb84e40-fe92-4a53-aa89-92327be9148a	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
7fbd120b-6ae8-46e9-b2e7-64efd138c768	Environmental → Air → Unknown	EF 3.1	kg	2
63bef9d4-d963-44ff-bb2a-65cd58245693	Environmental → Ground → Agricultural	EF 3.1	kg	2
839cd55c-953a-4044-806a-801d01709218	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
c51f90d8-8089-4037-9ceb-dd17922d5238	Environmental → Ground → Unknown	EF 3.1	kg	2
ee3288d5-6251-4ff2-bb3c-0a84753e6462	Environmental → Water → Long-term	EF 3.1	kg	0
c9e3c71c-87a4-4e52-95f7-b3ce491c4fca	Environmental → Water → Ocean	EF 3.1	kg	2
dba5e37c-89ac-48e8-b27c-ddcbccb6a3a6	Environmental → Water → Surface water	EF 3.1	kg	2
8b9556c4-c9c3-4728-9d6d-5ca63fbf76cf	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-65ef9e7daed0a8cf",
  "prefLabel": [
    {
      "@value": "Ammonium Hydrogen {[bis(phosphonomethyl)amino]methyl}phosphonate",
      "@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": "Aminotrimethylenephosphonic acid ammonium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:34274-28-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=34274-28-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aminotris(methylenephosphonic acid) ammonium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:34274-28-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=34274-28-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ammonium nitrilotris(methylenephosphonate)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:34274-28-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=34274-28-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nitrilo-tris(methylene)phosphonic acid ammonium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:34274-28-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=34274-28-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphonic acid, [nitrilotris(methylene)]tri-, ammonium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:34274-28-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=34274-28-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphonic acid, [nitrilotris(methylene)]tris-, ammonium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:34274-28-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=34274-28-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphonic acid, P,P′,P′′-[nitrilotris(methylene)]tris-, ammonium salt (1:?)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:34274-28-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=34274-28-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C3H10N2O9P3-5"
      ],
      "attested_by": {
        "C3H10N2O9P3-5": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:161809"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[NH4+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "QLBMTYBUHJKAQD-UHFFFAOYSA-I"
      ],
      "attested_by": {
        "QLBMTYBUHJKAQD-UHFFFAOYSA-I": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:161809"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[NH4+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[NH4+]"
      ],
      "attested_by": {
        "C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[NH4+]": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:161809"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[NH4+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C3H12NO9P3.H3N/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);1H3/p-5"
      ],
      "attested_by": {
        "InChI=1S/C3H12NO9P3.H3N/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);1H3/p-5": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:161809"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[NH4+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "ammonium 1-phosphonato-N,N-bis(phosphonatomethyl)methanamine",
        "ammonium tris(phosphonatomethyl)amine",
        "azanium 1-phosphonato-N,N-bis(phosphonatomethyl)methanamine"
      ],
      "attested_by": {
        "ammonium 1-phosphonato-N,N-bis(phosphonatomethyl)methanamine": [
          "enrich_references.pubchem_semantic"
        ],
        "ammonium tris(phosphonatomethyl)amine": [
          "enrich_references.pubchem_semantic"
        ],
        "azanium 1-phosphonato-N,N-bis(phosphonatomethyl)methanamine": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:161809"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        311.04
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[NH4+]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[NH4+]"
          ]
        }
      ],
      "attested_by": {
        "311.04": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        310.962658
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[NH4+]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[NH4+]"
          ]
        }
      ],
      "attested_by": {
        "310.962658": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.047.174",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:161809;CAS:34274-28-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[34274-28-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=34274-28-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "34274-28-7"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/161809",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:161809;CAS:34274-28-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[34274-28-7]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0708c86b-5a10-4a93-b7f8-d013b3a68d07",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/ChemicalSalt"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "34274-28-7"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=34274-28-7"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=34274-28-7"
        }
      ],
      "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": [
        "251-908-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=251-908-0"
      ],
      "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/ChemicalSalt"
  ]
}

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

Ammonium Hydrogen {[bis(phosphonomethyl)amino]methyl}phosphonate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard