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Sodium M-(diethylamino)benzenesulphonate

UUID 73bfc62c-1360-414e-8592-a04a5646f244
Flow Object IDfo-a4458cde0a3c9301
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 5123-63-7
EC Numbers 225-861-1
prefLabel
Language Value Provenance
en Sodium M-(diethylamino)benzenesulphonate
altLabel ⓘ
Language Value Provenance
en Benzenesulfonic acid, 3-(diethylamino)-, sodium salt
en Benzenesulfonic acid, 3-(diethylamino)-, sodium salt (1:1)
en Metanilic acid, <em>N</em>,<em>N</em>-diethyl-, sodium salt
en Sodium <em>N</em>,<em>N</em>-diethylmetanilate
References
Shared Properties
Predicate Value
InChIKey CBPZVSMXBHTBEV-UHFFFAOYSA-N, IHKNYPYJYZUMMA-UHFFFAOYSA-N, YERLJJDMKZJPBL-UHFFFAOYSA-M
InChI InChI=1S/C10H15NO3S.Na/c1-3-11(4-2)9-6-5-7-10(8-9)15(12,13)14;/h5-8H,3-4H2,1-2H3,(H,12,13,14);, InChI=1S/C10H15NO3S.Na/c1-3-11(4-2)9-6-5-7-10(8-9)15(12,13)14;/h5-8H,3-4H2,1-2H3,(H,12,13,14);/q;+1/p-1, InChI=1S/C19H21NO.ClH/c21-19(17-11-5-2-6-12-17)18(15-20-13-7-8-14-20)16-9-3-1-4-10-16;/h1-6,9-12,18H,7-8,13-15H2;1H
IUPAC name 1,2-diphenyl-3-(1-pyrrolidinyl)-1-propanone;hydrochloride, 1,2-diphenyl-3-pyrrolidin-1-yl-propan-1-one;hydrochloride, 1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride, 1,2-diphenyl-3-pyrrolidino-propan-1-one;hydrochloride, sodium 3-(diethylamino)benzenesulfonate, sodium 3-(diethylamino)besylate
Molecular formula C10H14NNaO3S, C10H15NNaO3S, C19H22ClNO
SMILES C1CCN(C1)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3.Cl, CCN(CC)C1=CC(=CC=C1)S(=O)(=O)O.[Na], CCN(CC)C1=CC(=CC=C1)S(=O)(=O)[O-].[Na+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 73bfc62c-1360-414e-8592-a04a5646f244 sodium m-(diethylamino)benzenesulphonate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 sodium m-(diethylamino)benzenesulphonate 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=sodiumm-(diethylamino)benzenesulphonate||dimension=Environmental > media=Water > water_body=Ocean; cas=5123-63-7; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 3-(diethylamino)-, sodium salt, Benzenesulfonic acid, 3-(diethylamino)-, sodium salt (1:1), Metanilic acid, <em>N</em>,<em>N</em>-diethyl-, sodium salt, Sodium <em>N</em>,<em>N</em>-diethylmetanilate; object_uuid=fo-a4458cde0a3c9301
cas_match_labels 1 — consensus_match group_key=sodiumm-(diethylamino)benzenesulphonate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5123-63-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a4458cde0a3c9301: {'5123-63-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Benzenesulfonic acid, 3-(diethylamino)-, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5123-63-7', 'https://commonchemistry.cas.org/detail?cas_rn=5123-63-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonic acid, 3-(diethylamino)-, sodium salt (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5123-63-7', 'https://commonchemistry.cas.org/detail?cas_rn=5123-63-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Metanilic acid, <em>N</em>,<em>N</em>-diethyl-, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5123-63-7', 'https://commonchemistry.cas.org/detail?cas_rn=5123-63-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium <em>N</em>,<em>N</em>-diethylmetanilate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5123-63-7', 'https://commonchemistry.cas.org/detail?cas_rn=5123-63-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=sodiumm-(diethylamino)benzenesulphonate||dimension=Environmental > media=Water > water_body=Ocean; cas=5123-63-7; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 3-(diethylamino)-, sodium salt, Benzenesulfonic acid, 3-(diethylamino)-, sodium salt (1:1), Metanilic acid, <em>N</em>,<em>N</em>-diethyl-, sodium salt, Sodium <em>N</em>,<em>N</em>-diethylmetanilate; object_uuid=fo-a4458cde0a3c9301
cas_match_labels None {'5123-63-7': 'exactMatch'} group_key=sodiumm-(diethylamino)benzenesulphonate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5123-63-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a4458cde0a3c9301: {'5123-63-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "general_comment": "Correct mapping CAS and flow to be verified: yet unclear whether this is the sodium-, hydrochloride-, calcium-, potassium- or other salt or the pure substance that is emitted. Note that the CAS No is the relevant identifier, to which also the ILCD LCIA characterisation factors relate. Reference elementary flow of the International Reference Life Cycle Data System (ILCD).",
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