4,4'-methylenebisbenzenamine Dihydrochloride
166c167ac7b533209fcd76f419672d6baf20ddc8
Identity
- Substance
- fo-1728d9aa23ddbc60 Molecular complex
- Source
- stepwise algorithm addition
- Unit
- kg
- Context
- Environmental → Water → Unconfined aquifer
- CAS
- 13552-44-8
- EC
- 236-934-2
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Unconfined aquifer
Alternative labels
6- 4,4′-Diaminodiphenylmethane dihydrochloride
- 4,4′-Methylenedianiline dihydrochloride
- Aniline, 4,4′-methylenedi-, dihydrochloride
- Benzenamine, 4,4′-methylenebis-, dihydrochloride
- Benzenamine, 4,4′-methylenebis-, hydrochloride (1:2)
- p,p′-Methylenedianiline dihydrochloride
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| stepwise | 2006-1.09 | 49b09fc5-b3bb-5232-864d-5a831564b228 | 4,4'-Methylenedianiline dihydrochloride | The CAS numbers are the same (13552-44-8); no flow of this substance sat in that compartment, so this one was created for the row. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| stepwise 2006-1.09 | 49b09fc5-b3bb-5232-864d-5a831564b228 | 4,4'-Methylenedianiline Dihydrochloride | Water / groundwater | exactMatch | — |
Characterisation factors
2- consensus-flow-list 1
- 2.-0 LCA consultants 1
Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.
| Method | Implementation | Category | Place | Factor | Published as |
|---|---|---|---|---|---|
| Stepwise 2006 | 2.-0 LCA consultants | Human toxicity, carcinogens | — | 9.3653e-04 | — |
| Stepwise 2006 | consensus-flow-list | Human toxicity, carcinogens | — | 9.3653e-04 | sole |
History
The change log and the PROV-O trail (0 consensus changes)
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Full record
Flow JSON
{
"altLabel": [
{
"@value": "4,4′-Diaminodiphenylmethane dihydrochloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:13552-44-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=13552-44-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4,4′-Methylenedianiline dihydrochloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:13552-44-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=13552-44-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Aniline, 4,4′-methylenedi-, dihydrochloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:13552-44-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=13552-44-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzenamine, 4,4′-methylenebis-, dihydrochloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:13552-44-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=13552-44-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzenamine, 4,4′-methylenebis-, hydrochloride (1:2)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:13552-44-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=13552-44-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "p,p′-Methylenedianiline dihydrochloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:13552-44-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=13552-44-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C13H16Cl2N2"
],
"attested_by": {
"C13H16Cl2N2": [
"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:26108"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cl.Cl.Nc1ccc(Cc2ccc(N)cc2)cc1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"MXNNTNFLRICRPT-UHFFFAOYSA-N"
],
"attested_by": {
"MXNNTNFLRICRPT-UHFFFAOYSA-N": [
"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:26108"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cl.Cl.Nc1ccc(Cc2ccc(N)cc2)cc1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"Cl.Cl.Nc1ccc(Cc2ccc(N)cc2)cc1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4,4'-methylenebisbenzenamine Dihydrochloride"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cl.Cl.Nc1ccc(Cc2ccc(N)cc2)cc1"
]
}
],
"attested_by": {
"Cl.Cl.Nc1ccc(Cc2ccc(N)cc2)cc1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C13H14N2.2ClH/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;;/h1-8H,9,14-15H2;2*1H"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4,4'-methylenebisbenzenamine Dihydrochloride"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cl.Cl.Nc1ccc(Cc2ccc(N)cc2)cc1"
]
}
],
"attested_by": {
"InChI=1S/C13H14N2.2ClH/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;;/h1-8H,9,14-15H2;2*1H": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"4,4'-methylenebisbenzenamine Dihydrochloride"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4,4'-methylenebisbenzenamine Dihydrochloride"
]
},
"attested_by": {
"4,4'-methylenebisbenzenamine Dihydrochloride": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
271.191
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.Cl.Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cl.Cl.Nc1ccc(Cc2ccc(N)cc2)cc1"
]
}
],
"attested_by": {
"271.191": [
"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": [
270.069054
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.Cl.Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cl.Cl.Nc1ccc(Cc2ccc(N)cc2)cc1"
]
}
],
"attested_by": {
"270.069054": [
"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/100.033.562",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:26108;CAS:13552-44-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[13552-44-8]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=13552-44-8",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"13552-44-8"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID9020871",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:26108;CAS:13552-44-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[13552-44-8]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S0V6PBT14R",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:26108;CAS:13552-44-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[13552-44-8]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/26108",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:26108;CAS:13552-44-8"
],
"prov:wasDerivedFrom": "pubchem.by_cas[13552-44-8]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27288417",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:26108;CAS:13552-44-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[13552-44-8]"
}
}
],
"prefLabel": [
{
"@value": "4,4'-methylenebisbenzenamine Dihydrochloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"@type": [
"https://w3id.org/chemrof/MolecularComplex"
],
"http://www.w3.org/2004/02/skos/core#definition": [],
"uuid": "166c167ac7b533209fcd76f419672d6baf20ddc8",
"identifier": "",
"name": "4,4'-methylenebisbenzenamine Dihydrochloride",
"source": "stepwise algorithm addition",
"cas_numbers": [
"13552-44-8"
],
"ec_numbers": [
"236-934-2"
],
"context": {
"dimension": "Environmental",
"media": "Water",
"water_body": "Unconfined aquifer"
},
"synonyms": [],
"lcia_methods": [],
"unit": "kg",
"input_datasets": [],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unaq",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-1728d9aa23ddbc60",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/stepwise/2006-1.09/flow/49b09fc5-b3bb-5232-864d-5a831564b228",
"skos:prefLabel": "4,4'-Methylenedianiline Dihydrochloride",
"context": "Water / groundwater",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/166c167ac7b533209fcd76f419672d6baf20ddc8"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/166c167ac7b533209fcd76f419672d6baf20ddc8"
},
"provenance": {
"prov:wasGeneratedBy": "merge_stepwise",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"stepwise:2006-1.09:49b09fc5-b3bb-5232-864d-5a831564b228",
"4,4'-Methylenedianiline Dihydrochloride",
"",
"algorithm.lookup_order=cas>ec>label",
"algorithm.basis=cas:13552-44-8",
"algorithm.flow_object_candidates=1",
"algorithm.elementary_candidates=13",
"algorithm.selector_reason=new-elementary-flow-created",
"algorithm.score_rule=exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto",
"algorithm.winning_score=3",
"algorithm.tie_on_top_score=true"
],
"prov:wasDerivedFrom": "algorithmic_fallback:lookup_order(cas>ec>label);basis(cas:13552-44-8);flow_object_candidates(1);elementary_candidates(13);selector(new-elementary-flow-created);exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
}
}
],
"_sources": {},
"cas_match_labels": {},
"general_comment": "",
"_transformed": false,
"_provided": {
"name": null,
"synonyms": [],
"context": [],
"cas_numbers": [],
"ec_numbers": [],
"unit": null
},
"elementary_flow_id": "166c167ac7b533209fcd76f419672d6baf20ddc8"
}
Something wrong here?
A flow can be wrong in three ways, and they are decided differently. Pick the one that matches what you are looking at.
- A row from my list should not reach this flow
- This flow is not that chemical
- The compartment or the unit is wrong
- One of these characterisation factors cannot be this substance's
You do not need to run a build or clone anything. Name the row and say what your evidence is; the measurement is done for you. How contributing works