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

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

UUID ad2cfbe4-3e19-468d-b1f6-edd4bb2ec1ef

Flow Object ID fo-57f56c225d5cb077

Source EF 3.1

Context Environmental → Air → Ground level → Rural (<1000 people/square mile)

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	`ad2cfbe4-3e19-468d-b1f6-edd4bb2ec1ef`	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 air/Emissions to air, unspecified (long-term)	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

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Rural (<1000 people/square mile)

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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