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Sodium 4-amino-3-methylbenzenesulfonate

UUID 28304b27-c513-430c-9135-405e4f39dc09
Flow Object IDfo-5511db17912c5674
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 63450-43-1
EC Numbers 264-172-0
prefLabel
Language Value Provenance
en Sodium 4-amino-3-methylbenzenesulfonate
altLabel
Language Value Provenance
en 4-Amino-3-methylbenzenesulfonic acid sodium salt
en Benzenesulfonic acid, 4-amino-3-methyl-, monosodium salt
en Benzenesulfonic acid, 4-amino-3-methyl-, sodium salt (1:1)
References
Shared Properties
Predicate Value
InChIKey CSUXUDMQKNKKJP-UHFFFAOYSA-N, QBNQDVLZYGZNMD-UHFFFAOYSA-M, RVSNUNNCRYLEEM-UHFFFAOYSA-M
InChI InChI=1S/C7H9NO3S.Na.4H2O/c1-5-4-6(12(9,10)11)2-3-7(5)8;;;;;/h2-4H,8H2,1H3,(H,9,10,11);;4*1H2/q;+1;;;;/p-1, InChI=1S/C7H9NO3S.Na/c1-5-4-6(12(9,10)11)2-3-7(5)8;/h2-4H,8H2,1H3,(H,9,10,11);, InChI=1S/C7H9NO3S.Na/c1-5-4-6(12(9,10)11)2-3-7(5)8;/h2-4H,8H2,1H3,(H,9,10,11);/q;+1/p-1
IUPAC name sodium 4-amino-3-methyl-benzenesulfonate, sodium 4-amino-3-methyl-besylate, sodium 4-amino-3-methylbenzenesulfonate, sodium 4-azanyl-3-methyl-benzenesulfonate, sodium;4-amino-3-methyl-benzenesulfonate;tetrahydrate, sodium;4-amino-3-methyl-besylate;tetrahydrate, sodium;4-amino-3-methylbenzenesulfonate;tetrahydrate, sodium;4-azanyl-3-methyl-benzenesulfonate;tetrahydrate
Molecular formula C7H16NNaO7S, C7H8NNaO3S, C7H9NNaO3S
SMILES CC1=C(C=CC(=C1)S(=O)(=O)O)N.[Na], CC1=C(C=CC(=C1)S(=O)(=O)[O-])N.O.O.O.O.[Na+], CC1=C(C=CC(=C1)S(=O)(=O)[O-])N.[Na+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 28304b27-c513-430c-9135-405e4f39dc09 sodium 4-amino-3-methylbenzenesulfonate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 sodium 4-amino-3-methylbenzenesulfonate 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=sodium4-amino-3-methylbenzenesulfonate||dimension=Environmental > media=Water > water_body=Surface water; cas=63450-43-1; added Common Chemistry CAS names as altLabel: 4-Amino-3-methylbenzenesulfonic acid sodium salt, Benzenesulfonic acid, 4-amino-3-methyl-, monosodium salt, Benzenesulfonic acid, 4-amino-3-methyl-, sodium salt (1:1); object_uuid=fo-5511db17912c5674
cas_match_labels 1 consensus_match group_key=sodium4-amino-3-methylbenzenesulfonate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'63450-43-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5511db17912c5674: {'63450-43-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '4-Amino-3-methylbenzenesulfonic acid sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:63450-43-1', 'https://commonchemistry.cas.org/detail?cas_rn=63450-43-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonic acid, 4-amino-3-methyl-, monosodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:63450-43-1', 'https://commonchemistry.cas.org/detail?cas_rn=63450-43-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonic acid, 4-amino-3-methyl-, sodium salt (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:63450-43-1', 'https://commonchemistry.cas.org/detail?cas_rn=63450-43-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=sodium4-amino-3-methylbenzenesulfonate||dimension=Environmental > media=Water > water_body=Surface water; cas=63450-43-1; added Common Chemistry CAS names as altLabel: 4-Amino-3-methylbenzenesulfonic acid sodium salt, Benzenesulfonic acid, 4-amino-3-methyl-, monosodium salt, Benzenesulfonic acid, 4-amino-3-methyl-, sodium salt (1:1); object_uuid=fo-5511db17912c5674
cas_match_labels None {'63450-43-1': 'exactMatch'} group_key=sodium4-amino-3-methylbenzenesulfonate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'63450-43-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5511db17912c5674: {'63450-43-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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