5-nitroquinoline

← Back to consensus flows

UUID c05c40d4-70c3-4ab1-baf6-e3da52bb8bb7

Flow Object ID fo-f71e288346152085

Source EF 3.1

Context Environmental → Water → Surface water

CAS Numbers 607-34-1

EC Numbers 210-134-3

prefLabel

Language	Value	Provenance
`en`	`5-nitroquinoline`

altLabel ⓘ

Language	Value	Provenance
`en`	`5-(Hydroxyl[<em>oxido</em>]amino)quinoline`
`en`	`NSC 65583`
`en`	`Quinoline, 5-nitro-`

References

Shared Properties

Predicate	Value
InChIKey	`NDDZXHOCOKCNBM-UHFFFAOYSA-N, OTAGNRCLVBQOQE-UHFFFAOYSA-N`
InChI	`InChI=1S/C15H27NO4/c1-11(2)15(12(17)19-6)8-7-9-16(10-15)13(18)20-14(3,4)5/h11H,7-10H2,1-6H3, InChI=1S/C9H6N2O2/c12-11(13)9-5-1-4-8-7(9)3-2-6-10-8/h1-6H`
IUPAC name	`1-O-tert-butyl 3-O-methyl 3-propan-2-ylpiperidine-1,3-dicarboxylate, 3-isopropylpiperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester, 3-propan-2-ylpiperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester, 5-nitroquinoline, O1-tert-butyl O3-methyl 3-isopropylpiperidine-1,3-dicarboxylate, O1-tert-butyl O3-methyl 3-propan-2-ylpiperidine-1,3-dicarboxylate`
Molecular formula	`C15H27NO4, C9H6N2O2`
SMILES	`C1=CC2=C(C=CC=N2)C(=C1)[N+](=O)[O-], CC(C)C1(CCCN(C1)C(=O)OC(C)(C)C)C(=O)OC`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`c05c40d4-70c3-4ab1-baf6-e3da52bb8bb7`	5-nitroquinoline

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	5-nitroquinoline	Emissions/Emissions to water/Emissions to fresh water	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=5-nitroquinoline\|\|dimension=Environmental > media=Air > strata=Unknown; cas=607-34-1; added Common Chemistry CAS names as altLabel: 5-(Hydroxyl[<em>oxido</em>]amino)quinoline, NSC 65583, Quinoline, 5-nitro-; object_uuid=fo-f71e288346152085
`cas_match_labels`	1	`—`	consensus_match	group_key=5-nitroquinoline\|\|dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'607-34-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f71e288346152085: {'607-34-1': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Surface water

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '5-(Hydroxyl[<em>oxido</em>]amino)quinoline', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:607-34-1', 'https://commonchemistry.cas.org/detail?cas_rn=607-34-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 65583', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:607-34-1', 'https://commonchemistry.cas.org/detail?cas_rn=607-34-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Quinoline, 5-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:607-34-1', 'https://commonchemistry.cas.org/detail?cas_rn=607-34-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=5-nitroquinoline\|\|dimension=Environmental > media=Air > strata=Unknown; cas=607-34-1; added Common Chemistry CAS names as altLabel: 5-(Hydroxyl[<em>oxido</em>]amino)quinoline, NSC 65583, Quinoline, 5-nitro-; object_uuid=fo-f71e288346152085
`cas_match_labels`	`None`	`{'607-34-1': 'exactMatch'}`	group_key=5-nitroquinoline\|\|dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'607-34-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f71e288346152085: {'607-34-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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    "water_body": "Surface water"
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  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
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      "characterization_factor": 1815.5
    },
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 1815.5
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  "source": "EF 3.1",
  "identifier": "c05c40d4-70c3-4ab1-baf6-e3da52bb8bb7",
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