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4-methylbenzene-1,2-diamine

UUID b94509b6-1831-4e34-a503-a753bf9033a9
Flow Object IDfo-72b45149f6af40e8
Source EF 3.1
Context Environmental → Air → High stack, >150 meters
CAS Numbers 28783-41-7
EC Numbers 249-220-0
prefLabel ⓘ
Language Value Provenance
en 4-methylbenzene-1,2-diamine
altLabel ⓘ
Language Value Provenance
en 4,5,6,7-Tetrahydrothieno[3,2-<em>c</em>]pyridine hydrochloride
en 4,5,6,7-Tetrahydrothieno[3,2-<em>c</em>]pyridine,hydrochloride
en Thieno[3,2-<em>c</em>]pyridine, 4,5,6,7-tetrahydro-, hydrochloride
en Thieno[3,2-<em>c</em>]pyridine, 4,5,6,7-tetrahydro-, hydrochloride (1:1)
References
Shared Properties
Predicate Value
InChIKey DGRGLKZMKWPMOH-UHFFFAOYSA-N, OGUWOLDNYOTRBO-UHFFFAOYSA-N, QMXCTKPNQFJZGK-UHFFFAOYSA-N
InChI InChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3, InChI=1S/C7H9NS.ClH/c1-3-8-5-6-2-4-9-7(1)6;/h2,4,8H,1,3,5H2;1H, InChI=1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h2,4,8H,1,3,5H2
IUPAC name (2-amino-4-methyl-phenyl)amine, 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium chloride, 4,5,6,7-tetrahydrothieno[3,2-c]pyridine, 4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride, 4-methylbenzene-1,2-diamine
Molecular formula C7H10ClNS, C7H10N2, C7H9NS
SMILES C1CNCC2=C1SC=C2, C1CNCC2=C1SC=C2.Cl, C1C[NH2+]CC2=C1SC=C2.[Cl-], CC1=CC(=C(C=C1)N)N

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 b94509b6-1831-4e34-a503-a753bf9033a9 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium chloride

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium chloride Emissions/Emissions to air/Emissions to non-urban air or from high stacks 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=4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-iumchloride||dimension=Environmental > media=Water > water_body=Surface water; cas=28783-41-7; added Common Chemistry CAS names as altLabel: 4,5,6,7-Tetrahydrothieno[3,2-<em>c</em>]pyridine hydrochloride, 4,5,6,7-Tetrahydrothieno[3,2-<em>c</em>]pyridine,hydrochloride, Thieno[3,2-<em>c</em>]pyridine, 4,5,6,7-tetrahydro-, hydrochloride, Thieno[3,2-<em>c</em>]pyridine, 4,5,6,7-tetrahydro-, hydrochloride (1:1); object_uuid=fo-72b45149f6af40e8
cas_match_labels 1 — consensus_match group_key=4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-iumchloride||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'28783-41-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-72b45149f6af40e8: {'28783-41-7': 'exactMatch'}
prefLabel 1 — consensus_match group_key=4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-iumchloride||dimension=Environmental > media=Water > water_body=Surface water; cas=28783-41-7; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.1689; pubchem_entropy=3.6381; current_score=4.5889; pubchem_score=3.8681; score_improvement=0.7207; threshold=0.400; min_margin=0.400; object_uuid=fo-72b45149f6af40e8

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataHigh stack, >150 meters

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium Chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': '4-methylbenzene-1,2-diamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28783-41-7', 'name:4-methylbenzene-1,2-diamine', 'https://pubchem.ncbi.nlm.nih.gov/compound/10332'], 'prov:wasDerivedFrom': 'pubchem preferred label selection'}}] group_key=4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-iumchloride||dimension=Environmental > media=Water > water_body=Surface water; cas=28783-41-7; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.1689; pubchem_entropy=3.6381; current_score=4.5889; pubchem_score=3.8681; score_improvement=0.7207; threshold=0.400; min_margin=0.400; object_uuid=fo-72b45149f6af40e8
altLabel None [{'@value': '4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium Chloride', '@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=4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-iumchloride||dimension=Environmental > media=Water > water_body=Surface water; cas=28783-41-7; added current EF name as altLabel when prefLabel differs; object_uuid=fo-72b45149f6af40e8
altLabel [{'@value': '4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium Chloride', '@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': '4,5,6,7-Tetrahydrothieno[3,2-<em>c</em>]pyridine hydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28783-41-7', 'https://commonchemistry.cas.org/detail?cas_rn=28783-41-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,5,6,7-Tetrahydrothieno[3,2-<em>c</em>]pyridine,hydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28783-41-7', 'https://commonchemistry.cas.org/detail?cas_rn=28783-41-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Thieno[3,2-<em>c</em>]pyridine, 4,5,6,7-tetrahydro-, hydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28783-41-7', 'https://commonchemistry.cas.org/detail?cas_rn=28783-41-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Thieno[3,2-<em>c</em>]pyridine, 4,5,6,7-tetrahydro-, hydrochloride (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28783-41-7', 'https://commonchemistry.cas.org/detail?cas_rn=28783-41-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-iumchloride||dimension=Environmental > media=Water > water_body=Surface water; cas=28783-41-7; added Common Chemistry CAS names as altLabel: 4,5,6,7-Tetrahydrothieno[3,2-<em>c</em>]pyridine hydrochloride, 4,5,6,7-Tetrahydrothieno[3,2-<em>c</em>]pyridine,hydrochloride, Thieno[3,2-<em>c</em>]pyridine, 4,5,6,7-tetrahydro-, hydrochloride, Thieno[3,2-<em>c</em>]pyridine, 4,5,6,7-tetrahydro-, hydrochloride (1:1); object_uuid=fo-72b45149f6af40e8
cas_match_labels None {'28783-41-7': 'exactMatch'} group_key=4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-iumchloride||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'28783-41-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-72b45149f6af40e8: {'28783-41-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "source": "EF 3.1",
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