4-[(4-aminophenyl)methyl]aniline

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4-[(4-aminophenyl)methyl]aniline

UUID 08a91e70-3ddc-11dd-90d0-0050c2490048

Flow Object ID fo-1728d9aa23ddbc60

Source EF 3.1

Context Environmental → Ground → Unknown

CAS Numbers 13552-44-8

EC Numbers 236-934-2

prefLabel ⓘ

Language	Value	Provenance
`en`	`4-[(4-aminophenyl)methyl]aniline`

altLabel ⓘ

Language	Value	Provenance
`en`	`4,4′-Diaminodiphenylmethane dihydrochloride`
`en`	`4,4′-Methylenedianiline dihydrochloride`
`en`	`<em>p</em>,<em>p</em>′-Methylenedianiline dihydrochloride`
`en`	`Aniline, 4,4′-methylenedi-, dihydrochloride`
`en`	`Benzenamine, 4,4′-methylenebis-, dihydrochloride`
`en`	`Benzenamine, 4,4′-methylenebis-, hydrochloride (1:2)`

References

Shared Properties

Predicate	Value
InChIKey	`MXNNTNFLRICRPT-UHFFFAOYSA-N, NORZRJZMVPBSIJ-UHFFFAOYSA-N, YBRVSVVVWCFQMG-UHFFFAOYSA-N`
InChI	`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, InChI=1S/C13H14N2.ClH/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;/h1-8H,9,14-15H2;1H, InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2`
IUPAC name	`4-[(4-aminophenyl)methyl]aniline, 4-[(4-aminophenyl)methyl]aniline;dihydrochloride, 4-[(4-aminophenyl)methyl]aniline;hydrochloride, [4-(4-aminobenzyl)phenyl]amine, [4-(4-aminobenzyl)phenyl]amine;dihydrochloride, [4-(4-aminobenzyl)phenyl]amine;hydrochloride, [4-(4-ammoniobenzyl)phenyl]ammonium dichloride, [4-[(4-ammoniophenyl)methyl]phenyl]ammonium dichloride, [4-[(4-azaniumylphenyl)methyl]phenyl]ammonium dichloride, [4-[(4-azaniumylphenyl)methyl]phenyl]azanium dichloride`
Molecular formula	`C13H14N2, C13H15ClN2, C13H16Cl2N2`
SMILES	`C1=CC(=CC=C1CC2=CC=C(C=C2)N)N, C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.Cl, C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.Cl.Cl, C1=CC(=CC=C1CC2=CC=C(C=C2)[NH3+])[NH3+].[Cl-].[Cl-]`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`08a91e70-3ddc-11dd-90d0-0050c2490048`	4,4'-methylenebisbenzenamine dihydrochloride

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	4,4'-methylenebisbenzenamine dihydrochloride	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`	2	`—`	consensus_match	group_key=4,4'-methylenebisbenzenaminedihydrochloride\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=13552-44-8; added Common Chemistry CAS names as altLabel: 4,4′-Diaminodiphenylmethane dihydrochloride, 4,4′-Methylenedianiline dihydrochloride, <em>p</em>,<em>p</em>′-Methylenedianiline dihydrochloride, Aniline, 4,4′-methylenedi-, dihydrochloride, Benzenamine, 4,4′-methylenebis-, dihydrochloride, Benzenamine, 4,4′-methylenebis-, hydrochloride (1:2); object_uuid=fo-1728d9aa23ddbc60
`cas_match_labels`	1	`—`	consensus_match	group_key=4,4'-methylenebisbenzenaminedihydrochloride\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'13552-44-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1728d9aa23ddbc60: {'13552-44-8': 'exactMatch'}
`prefLabel`	1	`—`	consensus_match	group_key=4,4'-methylenebisbenzenaminedihydrochloride\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=13552-44-8; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=3.8429; pubchem_entropy=3.4595; current_score=4.2429; pubchem_score=3.7195; score_improvement=0.5234; threshold=0.400; min_margin=0.400; object_uuid=fo-1728d9aa23ddbc60

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`prefLabel`	`[{'@value': "4,4'-methylenebisbenzenamine Dihydrochloride", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}]`	`[{'@value': '4-[(4-aminophenyl)methyl]aniline', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13552-44-8', 'name:4-[(4-aminophenyl)methyl]aniline', 'https://pubchem.ncbi.nlm.nih.gov/compound/7577'], 'prov:wasDerivedFrom': 'pubchem preferred label selection'}}]`	group_key=4,4'-methylenebisbenzenaminedihydrochloride\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=13552-44-8; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=3.8429; pubchem_entropy=3.4595; current_score=4.2429; pubchem_score=3.7195; score_improvement=0.5234; threshold=0.400; min_margin=0.400; object_uuid=fo-1728d9aa23ddbc60
`altLabel`	`None`	`[{'@value': "4,4'-methylenebisbenzenamine Dihydrochloride", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}]`	group_key=4,4'-methylenebisbenzenaminedihydrochloride\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=13552-44-8; added current EF name as altLabel when prefLabel differs; object_uuid=fo-1728d9aa23ddbc60
`altLabel`	`[{'@value': "4,4'-methylenebisbenzenamine Dihydrochloride", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}]`	[{'@value': '4,4′-Diaminodiphenylmethane dihydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13552-44-8', 'https://commonchemistry.cas.org/detail?cas_rn=13552-44-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,4′-Methylenedianiline dihydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13552-44-8', 'https://commonchemistry.cas.org/detail?cas_rn=13552-44-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>,<em>p</em>′-Methylenedianiline dihydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13552-44-8', 'https://commonchemistry.cas.org/detail?cas_rn=13552-44-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Aniline, 4,4′-methylenedi-, dihydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13552-44-8', 'https://commonchemistry.cas.org/detail?cas_rn=13552-44-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenamine, 4,4′-methylenebis-, dihydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13552-44-8', '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', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13552-44-8', 'https://commonchemistry.cas.org/detail?cas_rn=13552-44-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=4,4'-methylenebisbenzenaminedihydrochloride\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=13552-44-8; added Common Chemistry CAS names as altLabel: 4,4′-Diaminodiphenylmethane dihydrochloride, 4,4′-Methylenedianiline dihydrochloride, <em>p</em>,<em>p</em>′-Methylenedianiline dihydrochloride, Aniline, 4,4′-methylenedi-, dihydrochloride, Benzenamine, 4,4′-methylenebis-, dihydrochloride, Benzenamine, 4,4′-methylenebis-, hydrochloride (1:2); object_uuid=fo-1728d9aa23ddbc60
`cas_match_labels`	`None`	`{'13552-44-8': 'exactMatch'}`	group_key=4,4'-methylenebisbenzenaminedihydrochloride\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'13552-44-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1728d9aa23ddbc60: {'13552-44-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
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  "context": {
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    "media": "Ground",
    "geography": "Unknown"
  },
  "general_comment": "Correct mapping CAS and flow to be verified: yet unclear whether this is the sodium-, hydrochloride-, calcium-, potassium- or other salt or the pure substance that is emitted. Note that the CAS No is the relevant identifier, to which also the ILCD LCIA characterisation factors relate. Reference elementary flow of the International Reference Life Cycle Data System (ILCD).",
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      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
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      "characterization_factor": 1.5875e-6
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      "name": "Human toxicity, cancer_organics",
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