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N-benzyl-2-(3-hydroxyphenyl)-n-methyl-2-oxoethanaminium Chloride

UUID 5bbd7b67-2c7c-40fd-893a-476bb619d5df
Flow Object IDfo-57f56c225d5cb077
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 71786-67-9
EC Numbers 276-017-4
prefLabel
Language Value Provenance
en N-benzyl-2-(3-hydroxyphenyl)-n-methyl-2-oxoethanaminium Chloride
altLabel ⓘ
Language Value Provenance
en Ethanone, 1-(3-hydroxyphenyl)-2-[methyl(phenylmethyl)amino]-, hydrochloride
en Ethanone, 1-(3-hydroxyphenyl)-2-[methyl(phenylmethyl)amino]-, hydrochloride (1:1)
References
Shared Properties
Predicate Value
InChIKey BKVSRLCWVCZYQV-UHFFFAOYSA-N, GQTJVDGUEMXVDE-UHFFFAOYSA-N, QGHUDAOMXLLADV-UHFFFAOYSA-N
InChI InChI=1S/C16H17NO2.ClH/c1-17(11-13-6-3-2-4-7-13)12-16(19)14-8-5-9-15(18)10-14;/h2-10,18H,11-12H2,1H3;1H, InChI=1S/C16H17NO2.ClH/c18-15-8-4-7-14(11-15)16(19)12-17-10-9-13-5-2-1-3-6-13;/h1-8,11,17-18H,9-10,12H2;1H, InChI=1S/C16H17NO2.ClH/c18-15-8-4-7-14(11-15)16(19)9-10-17-12-13-5-2-1-3-6-13;/h1-8,11,17-18H,9-10,12H2;1H
IUPAC name 1-(3-hydroxyphenyl)-2-(2-phenylethylamino)ethanone;hydrochloride, 1-(3-hydroxyphenyl)-2-(phenethylamino)ethanone;hydrochloride, 1-(3-hydroxyphenyl)-2-[methyl-(phenylmethyl)amino]ethanone;hydrochloride, 2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride, [2-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium chloride, [2-(3-hydroxyphenyl)-2-oxoethyl]-methyl-(phenylmethyl)ammonium chloride, [3-(3-hydroxyphenyl)-3-oxidanylidene-propyl]-(phenylmethyl)azanium chloride, [3-(3-hydroxyphenyl)-3-oxopropyl]-(phenylmethyl)ammonium chloride, benzyl-[2-(3-hydroxyphenyl)-2-keto-ethyl]-methyl-ammonium chloride, benzyl-[2-(3-hydroxyphenyl)-2-oxo-ethyl]-methyl-ammonium chloride, benzyl-[2-(3-hydroxyphenyl)-2-oxoethyl]-methylazanium chloride, benzyl-[3-(3-hydroxyphenyl)-3-keto-propyl]ammonium chloride, benzyl-[3-(3-hydroxyphenyl)-3-oxo-propyl]ammonium chloride, benzyl-[3-(3-hydroxyphenyl)-3-oxopropyl]azanium chloride
Molecular formula C16H18ClNO2
SMILES C1=CC=C(C=C1)CCNCC(=O)C2=CC(=CC=C2)O.Cl, C1=CC=C(C=C1)C[NH2+]CCC(=O)C2=CC(=CC=C2)O.[Cl-], CN(CC1=CC=CC=C1)CC(=O)C2=CC(=CC=C2)O.Cl, C[NH+](CC1=CC=CC=C1)CC(=O)C2=CC(=CC=C2)O.[Cl-]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 5bbd7b67-2c7c-40fd-893a-476bb619d5df n-benzyl-2-(3-hydroxyphenyl)-n-methyl-2-oxoethanaminium chloride

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 n-benzyl-2-(3-hydroxyphenyl)-n-methyl-2-oxoethanaminium chloride 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=n-benzyl-2-(3-hydroxyphenyl)-n-methyl-2-oxoethanaminiumchloride||dimension=Environmental > media=Air > indoor=Unknown; cas=71786-67-9; added Common Chemistry CAS names as altLabel: Ethanone, 1-(3-hydroxyphenyl)-2-[methyl(phenylmethyl)amino]-, hydrochloride, Ethanone, 1-(3-hydroxyphenyl)-2-[methyl(phenylmethyl)amino]-, hydrochloride (1:1); object_uuid=fo-57f56c225d5cb077
cas_match_labels 1 — consensus_match group_key=n-benzyl-2-(3-hydroxyphenyl)-n-methyl-2-oxoethanaminiumchloride||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'71786-67-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-57f56c225d5cb077: {'71786-67-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Ethanone, 1-(3-hydroxyphenyl)-2-[methyl(phenylmethyl)amino]-, hydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:71786-67-9', 'https://commonchemistry.cas.org/detail?cas_rn=71786-67-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethanone, 1-(3-hydroxyphenyl)-2-[methyl(phenylmethyl)amino]-, hydrochloride (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:71786-67-9', 'https://commonchemistry.cas.org/detail?cas_rn=71786-67-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=n-benzyl-2-(3-hydroxyphenyl)-n-methyl-2-oxoethanaminiumchloride||dimension=Environmental > media=Air > indoor=Unknown; cas=71786-67-9; added Common Chemistry CAS names as altLabel: Ethanone, 1-(3-hydroxyphenyl)-2-[methyl(phenylmethyl)amino]-, hydrochloride, Ethanone, 1-(3-hydroxyphenyl)-2-[methyl(phenylmethyl)amino]-, hydrochloride (1:1); object_uuid=fo-57f56c225d5cb077
cas_match_labels None {'71786-67-9': 'exactMatch'} group_key=n-benzyl-2-(3-hydroxyphenyl)-n-methyl-2-oxoethanaminiumchloride||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'71786-67-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-57f56c225d5cb077: {'71786-67-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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