1,2,3,4-tetrahydroisoquinoline

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1,2,3,4-tetrahydroisoquinoline

UUID e7d73db4-5759-4bde-8f18-bfb2e28e7c0f

Flow Object ID fo-a75c7ec83a1c1e4c

Source EF 3.1

Context Environmental → Ground → Agricultural

CAS Numbers 91-21-4

EC Numbers 202-050-0

prefLabel

Language	Value	Provenance
`en`	`1,2,3,4-tetrahydroisoquinoline`

altLabel ⓘ

Language	Value	Provenance
`en`	`1,2,3,4-Tetrahydro-2-azanaphthalene`
`en`	`1,2,3,4-Tetrahydro-2-isoquinoline`
`en`	`1,2,3,4-Tetrahydroisoquinline`
`en`	`3,4-Dihydro-1<em>H</em>-isoquinoline`
`en`	`Isoquinoline, 1,2,3,4-tetrahydro-`
`en`	`NSC 15312`
`en`	`Tetrahydroisoquinoline`

References

Shared Properties

Predicate	Value
InChIKey	`ABKUDWKUABCGGM-UHFFFAOYSA-N, UWYZHKAOTLEWKK-NZLXMSDQSA-N, UWYZHKAOTLEWKK-UHFFFAOYSA-N, UWYZHKAOTLEWKK-UHFFFAOYSA-O, VYVRIXWNTVOIRD-LRHBOZQDSA-N`
InChI	InChI=1S/C19H28N2O4/c1-18(2,3)25-17(23)20-19(16(22)24-4)10-12-21(13-11-19)14-15-8-6-5-7-9-15/h5-9H,10-14H2,1-4H3,(H,20,23), InChI=1S/C60H86O19/c1-28-19-42-44(22-48-54(76-42)30(3)52(65)58-55(77-48)29(2)31(4)60(79-58)25-33(63)27-67-60)73-46-24-51-59(5,78-47(46)20-28)50(64)23-45-36(74-51)11-7-6-10-35-37(71-45)15-16-39-38(69-35)17-18-40-43(70-39)21-49-57(75-40)53(66)56-41(72-49)12-8-9-34(68-56)14-13-32(62)26-61/h6-9,13-18,28-58,61-66H,10-12,19-27H2,1-5H3/b7-6-,14-13+/t28-,29+,30+,31+,32+,33+,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44-,45-,46+,47-,48+,49-,50-,51-,52+,53-,54-,55-,56+,57-,58+,59+,60-/m1/s1, InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2, InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2/i5D2,6D2, InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2/p+1
IUPAC name	(1R,3S,3'S,6R,8S,10R,12S,16R,18R,19R,20S,22R,25S,27R,29Z,32S,34R,36S,38R,40S,42R,43S,44S,45R,47S,48S,49S,50R,52S,54R,56R,58S,59R)-16-[(E,3S)-3,4-bis(oxidanyl)but-1-enyl]-43,44,49,54,58-pentamethyl-spiro[2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxadodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexaconta-4,14,23,29-tetraene-45,5'-oxolane]-3',19,48,59-tetrol, (1R,3S,3'S,6R,8S,10R,12S,16R,18R,19R,20S,22R,25S,27R,29Z,32S,34R,36S,38R,40S,42R,43S,44S,45R,47S,48S,49S,50R,52S,54R,56R,58S,59R)-16-[(E,3S)-3,4-dihydroxybut-1-enyl]-43,44,49,54,58-pentamethyl-spiro[2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxadodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexaconta-4,14,23,29-tetraene-45,5'-tetrahydrofuran]-3',19,48,59-tetrol, (1R,3S,3'S,6R,8S,10R,12S,16R,18R,19R,20S,22R,25S,27R,29Z,32S,34R,36S,38R,40S,42R,43S,44S,45R,47S,48S,49S,50R,52S,54R,56R,58S,59R)-16-[(E,3S)-3,4-dihydroxybut-1-enyl]-43,44,49,54,58-pentamethylspiro[2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxadodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexaconta-4,14,23,29-tetraene-45,5'-oxolane]-3',19,48,59-tetrol, 1,2,3,4-tetrahydroisoquinolin-2-ium, 1,2,3,4-tetrahydroisoquinoline, 1-benzyl-4-(tert-butoxycarbonylamino)isonipecotic acid methyl ester, 3,3,4,4-tetradeuterio-1,2-dihydroisoquinoline, 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-(phenylmethyl)-4-piperidinecarboxylic acid methyl ester, methyl 1-benzyl-4-(tert-butoxycarbonylamino)piperidine-4-carboxylate, methyl 1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate, methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(phenylmethyl)piperidine-4-carboxylate
Molecular formula	`C19H28N2O4, C60H86O19, C9H11N, C9H12N+`
SMILES	C1CNCC2=CC=CC=C21, C1C[NH2+]CC2=CC=CC=C21, CC(C)(C)OC(=O)NC1(CCN(CC1)CC2=CC=CC=C2)C(=O)OC, CC1CC2C(CC3C(O2)C(C(C4C(O3)C(C(C5(O4)CC(CO5)O)C)C)O)C)OC6CC7C(C(CC8C(O7)CC=CCC9C(O8)C=CC2C(O9)C=CC3C(O2)CC2C(O3)C(C3C(O2)CC=CC(O3)C=CC(CO)O)O)O)(OC6C1)C, C[C@@H]1C[C@H]2[C@@H](C[C@H]3[C@H](O2)[C@H]([C@@H]([C@H]4[C@H](O3)[C@H]([C@@H]([C@]5(O4)C[C@@H](CO5)O)C)C)O)C)O[C@H]6C[C@@H]7[C@]([C@@H](C[C@@H]8[C@@H](O7)C/C=C\C[C@@H]9[C@@H](O8)C=C[C@@H]2[C@@H](O9)C=C[C@@H]3[C@@H](O2)C[C@@H]2[C@@H](O3)[C@@H]([C@@H]3[C@@H](O2)CC=C[C@@H](O3)/C=C/[C@@H](CO)O)O)O)(O[C@@H]6C1)C, [2H]C1(C2=CC=CC=C2CNC1([2H])[2H])[2H]

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`e7d73db4-5759-4bde-8f18-bfb2e28e7c0f`	1,2,3,4-tetrahydroisoquinoline

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	1,2,3,4-tetrahydroisoquinoline	Emissions/Emissions to soil/Emissions to 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`	1	`—`	consensus_match	group_key=1,2,3,4-tetrahydroisoquinoline\|\|dimension=Environmental > media=Water > water_body=Surface water; cas=91-21-4; added Common Chemistry CAS names as altLabel: 1,2,3,4-Tetrahydro-2-azanaphthalene, 1,2,3,4-Tetrahydro-2-isoquinoline, 1,2,3,4-Tetrahydroisoquinline, 3,4-Dihydro-1<em>H</em>-isoquinoline, Isoquinoline, 1,2,3,4-tetrahydro-, NSC 15312, Tetrahydroisoquinoline; object_uuid=fo-a75c7ec83a1c1e4c
`cas_match_labels`	1	`—`	consensus_match	group_key=1,2,3,4-tetrahydroisoquinoline\|\|dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'91-21-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a75c7ec83a1c1e4c: {'91-21-4': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Agricultural

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1,2,3,4-Tetrahydro-2-azanaphthalene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-21-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-21-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,2,3,4-Tetrahydro-2-isoquinoline', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-21-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-21-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,2,3,4-Tetrahydroisoquinline', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-21-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-21-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,4-Dihydro-1<em>H</em>-isoquinoline', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-21-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-21-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isoquinoline, 1,2,3,4-tetrahydro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-21-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-21-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 15312', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-21-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-21-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tetrahydroisoquinoline', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:91-21-4', 'https://commonchemistry.cas.org/detail?cas_rn=91-21-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=1,2,3,4-tetrahydroisoquinoline\|\|dimension=Environmental > media=Water > water_body=Surface water; cas=91-21-4; added Common Chemistry CAS names as altLabel: 1,2,3,4-Tetrahydro-2-azanaphthalene, 1,2,3,4-Tetrahydro-2-isoquinoline, 1,2,3,4-Tetrahydroisoquinline, 3,4-Dihydro-1<em>H</em>-isoquinoline, Isoquinoline, 1,2,3,4-tetrahydro-, NSC 15312, Tetrahydroisoquinoline; object_uuid=fo-a75c7ec83a1c1e4c
`cas_match_labels`	`None`	`{'91-21-4': 'exactMatch'}`	group_key=1,2,3,4-tetrahydroisoquinoline\|\|dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'91-21-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a75c7ec83a1c1e4c: {'91-21-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "general_comment": null,
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  "unit": "kg",
  "lcia_methods": [
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      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
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      "characterization_factor": 1.8541
    },
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      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 7.6611e-8
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      "characterization_factor": 7.6611e-8
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      "source_metadata": {
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        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to soil",
          "Emissions to agricultural soil"
        ]
      }
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  "prefLabel": [
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