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1-benzyl-1,2-dihydro-3h-indazol-3-one, Sodium Salt

UUID 2910aa97-6486-4077-a9eb-8e3b2e274f3d
Flow Object IDfo-bfc1707b2753a299
Source EF 3.1
Context Environmental → Air → High stack, >150 meters
CAS Numbers 13185-09-6
EC Numbers 236-138-5
prefLabel
Language Value Provenance
en 1-benzyl-1,2-dihydro-3h-indazol-3-one, Sodium Salt
altLabel
Language Value Provenance
en 1-Benzyl-3-hydroxy-1<em>H</em>-indazole sodium salt
en 1-Benzyl-3-hydroxyindazole sodium salt
en 1<em>H</em>-Indazol-3-ol, 1-benzyl-, sodium salt
en 1<em>H</em>-Indazole, 1-benzyl-3-hydroxy-, sodium salt
en 3<em>H</em>-Indazol-3-one, 1,2-dihydro-1-(phenylmethyl)-, sodium salt
en 3<em>H</em>-Indazol-3-one, 1,2-dihydro-1-(phenylmethyl)-, sodium salt (1:1)
References
Shared Properties
Predicate Value
InChIKey HNNIWKQLJSNAEQ-UHFFFAOYSA-N, HTBJUNKUXYANAR-UHFFFAOYSA-M, NTBSWRYPTYVOPU-UHFFFAOYSA-N, POYTWGDRMIVNEF-UHFFFAOYSA-M, POYTWGDRMIVNEF-UHFFFAOYSA-N, ZNNZQGXPPQUHPX-UHFFFAOYSA-N
InChI InChI=1S/C14H12N2O.Na/c17-14-12-8-4-5-9-13(12)16(15-14)10-11-6-2-1-3-7-11;/h1-9H,10H2,(H,15,17);, InChI=1S/C14H12N2O.Na/c17-14-12-8-4-5-9-13(12)16(15-14)10-11-6-2-1-3-7-11;/h1-9H,10H2,(H,15,17);/q;+1, InChI=1S/C14H12N2O.Na/c17-14-12-8-4-5-9-13(12)16(15-14)10-11-6-2-1-3-7-11;/h1-9H,10H2,(H,15,17);/q;+1/p-1, InChI=1S/C14H18N2O.Na/c17-14-12-8-4-5-9-13(12)16(15-14)10-11-6-2-1-3-7-11;/h1-3,6-7,12-13H,4-5,8-10H2,(H,15,17);, InChI=1S/C14H18N2O.Na/c17-14-12-8-4-5-9-13(12)16(15-14)10-11-6-2-1-3-7-11;/h1-3,6-7,12-13H,4-5,8-10H2,(H,15,17);/q;+1/p-1, InChI=1S/C19H23N3O.ClH/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16;/h3-7,9-12H,8,13-15H2,1-2H3;1H
IUPAC name 3-(1-benzylindazol-3-yl)oxy-N,N-dimethyl-propan-1-amine;hydrochloride, 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride, 3-(1-benzylindazol-3-yl)oxypropyl-dimethyl-amine;hydrochloride, N,N-dimethyl-3-[1-(phenylmethyl)indazol-3-yl]oxy-propan-1-amine;hydrochloride, N,N-dimethyl-3-[[1-(phenylmethyl)-3-indazolyl]oxy]-1-propanamine;hydrochloride, sodium 1-(phenylmethyl)-2H-indazol-3-one, sodium 1-(phenylmethyl)-3-indazol-2-idone, sodium 1-(phenylmethyl)-3-indazololate, sodium 1-(phenylmethyl)-3a,4,5,6,7,7a-hexahydroindazol-3-olate, sodium 1-(phenylmethyl)indazol-2-id-3-one, sodium 1-(phenylmethyl)indazol-3-olate, sodium 1-benzyl-2H-indazol-3-one, sodium 1-benzyl-3a,4,5,6,7,7a-hexahydroindazol-3-olate, sodium 1-benzylindazol-2-id-3-one, sodium 1-benzylindazol-3-olate, sodium 1-benzylindazolin-2-id-3-one, sodium 1-benzylindazolin-3-one
Molecular formula C14H11N2NaO, C14H12N2NaO, C14H12N2NaO+, C14H17N2NaO, C14H18N2NaO, C19H24ClN3O
SMILES C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)[O-].[Na+], C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)N2.[Na+], C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)N2.[Na], C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)[N-]2.[Na+], C1CCC2C(C1)C(=NN2CC3=CC=CC=C3)[O-].[Na+], C1CCC2C(C1)C(=O)NN2CC3=CC=CC=C3.[Na], CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3.Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 2910aa97-6486-4077-a9eb-8e3b2e274f3d 1-benzyl-1,2-dihydro-3h-indazol-3-one, sodium salt

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 1-benzyl-1,2-dihydro-3h-indazol-3-one, sodium salt 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 1 consensus_match group_key=1-benzyl-1,2-dihydro-3h-indazol-3-one,sodiumsalt||dimension=Environmental > media=Ground > geography=Unknown; cas=13185-09-6; added Common Chemistry CAS names as altLabel: 1-Benzyl-3-hydroxy-1<em>H</em>-indazole sodium salt, 1-Benzyl-3-hydroxyindazole sodium salt, 1<em>H</em>-Indazol-3-ol, 1-benzyl-, sodium salt, 1<em>H</em>-Indazole, 1-benzyl-3-hydroxy-, sodium salt, 3<em>H</em>-Indazol-3-one, 1,2-dihydro-1-(phenylmethyl)-, sodium salt, 3<em>H</em>-Indazol-3-one, 1,2-dihydro-1-(phenylmethyl)-, sodium salt (1:1); object_uuid=fo-bfc1707b2753a299
cas_match_labels 1 consensus_match group_key=1-benzyl-1,2-dihydro-3h-indazol-3-one,sodiumsalt||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'13185-09-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bfc1707b2753a299: {'13185-09-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataHigh stack, >150 meters

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1-Benzyl-3-hydroxy-1<em>H</em>-indazole sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13185-09-6', 'https://commonchemistry.cas.org/detail?cas_rn=13185-09-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Benzyl-3-hydroxyindazole sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13185-09-6', 'https://commonchemistry.cas.org/detail?cas_rn=13185-09-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1<em>H</em>-Indazol-3-ol, 1-benzyl-, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13185-09-6', 'https://commonchemistry.cas.org/detail?cas_rn=13185-09-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1<em>H</em>-Indazole, 1-benzyl-3-hydroxy-, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13185-09-6', 'https://commonchemistry.cas.org/detail?cas_rn=13185-09-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3<em>H</em>-Indazol-3-one, 1,2-dihydro-1-(phenylmethyl)-, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13185-09-6', 'https://commonchemistry.cas.org/detail?cas_rn=13185-09-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3<em>H</em>-Indazol-3-one, 1,2-dihydro-1-(phenylmethyl)-, sodium salt (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13185-09-6', 'https://commonchemistry.cas.org/detail?cas_rn=13185-09-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=1-benzyl-1,2-dihydro-3h-indazol-3-one,sodiumsalt||dimension=Environmental > media=Ground > geography=Unknown; cas=13185-09-6; added Common Chemistry CAS names as altLabel: 1-Benzyl-3-hydroxy-1<em>H</em>-indazole sodium salt, 1-Benzyl-3-hydroxyindazole sodium salt, 1<em>H</em>-Indazol-3-ol, 1-benzyl-, sodium salt, 1<em>H</em>-Indazole, 1-benzyl-3-hydroxy-, sodium salt, 3<em>H</em>-Indazol-3-one, 1,2-dihydro-1-(phenylmethyl)-, sodium salt, 3<em>H</em>-Indazol-3-one, 1,2-dihydro-1-(phenylmethyl)-, sodium salt (1:1); object_uuid=fo-bfc1707b2753a299
cas_match_labels None {'13185-09-6': 'exactMatch'} group_key=1-benzyl-1,2-dihydro-3h-indazol-3-one,sodiumsalt||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'13185-09-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bfc1707b2753a299: {'13185-09-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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