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(1r)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanol Hydrochloride

UUID 4498b57e-dd5f-422e-b7a6-757815eb8242
Flow Object IDfo-e4bc2b5d140c1581
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 521284-22-0
EC Numbers 700-425-8
prefLabel
Language Value Provenance
en (1r)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanol Hydrochloride
altLabel ⓘ
Language Value Provenance
en (<em>R</em>)-2-[2-(4-Aminophenyl)ethylamino]-1-phenylethanol hydrochloride
en (<em>R</em>)-2-[[2-(4-Aminophenyl)ethyl]amino]-1-phenylethanol monohydrochloride
en (R)-2-(4-Aminophenethylamino)-1-phenylethanol hydrochloride
en (R)-2-[(2-(4-Aminophenyl)ethyl)amino]-1-phenylethanol monohydrochloride
en (R)-2-[[2-(4-Aminophenyl)ethyl]amino]-1-phenylethanol hydrochloride
en Benzenemethanol, α-[[[2-(4-aminophenyl)ethyl]amino]methyl]-, hydrochloride (1:1), (α<em>R</em>)-
en Benzenemethanol, α-[[[2-(4-aminophenyl)ethyl]amino]methyl]-, monohydrochloride, (α<em>R</em>)-
en YM 208876
References
Shared Properties
Predicate Value
InChIKey LUAUJCGKCGBAKA-NTISSMGPSA-N, MFCZDAOMENFQML-UHFFFAOYSA-N, QILVTBCJVNFIDP-NTISSMGPSA-N, QILVTBCJVNFIDP-UHFFFAOYSA-N, SXCMZYVXJUJIDJ-UHFFFAOYSA-N, TUAHDMSPHZSMQN-UHFFFAOYSA-N
InChI InChI=1S/C12H12O4/c1-3-15-12(13)10-7-8-5-4-6-9(14-2)11(8)16-10/h4-7H,3H2,1-2H3, InChI=1S/C16H18N2O3.ClH/c19-16(14-4-2-1-3-5-14)12-17-11-10-13-6-8-15(9-7-13)18(20)21;/h1-9,16-17,19H,10-12H2;1H/t16-;/m0./s1, InChI=1S/C16H20N2O.ClH/c17-15-8-6-13(7-9-15)10-11-18-12-16(19)14-4-2-1-3-5-14;/h1-9,16,18-19H,10-12,17H2;1H, InChI=1S/C16H20N2O.ClH/c17-15-8-6-13(7-9-15)10-11-18-12-16(19)14-4-2-1-3-5-14;/h1-9,16,18-19H,10-12,17H2;1H/t16-;/m0./s1, InChI=1S/C16H20N2O/c17-15-8-6-13(7-9-15)10-11-18-12-16(19)14-4-2-1-3-5-14/h1-9,16,18-19H,10-12,17H2, InChI=1S/C16H20N2O/c17-16-7-5-13(6-8-16)9-10-18-11-14-3-1-2-4-15(14)12-19/h1-8,18-19H,9-12,17H2
IUPAC name (1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenyl-ethanol;hydrochloride, (1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol;hydrochloride, (1R)-2-[2-(4-nitrophenyl)ethylamino]-1-phenyl-ethanol;hydrochloride, (1R)-2-[2-(4-nitrophenyl)ethylamino]-1-phenylethanol;hydrochloride, 2-[2-(4-aminophenyl)ethylamino]-1-phenyl-ethanol, 2-[2-(4-aminophenyl)ethylamino]-1-phenyl-ethanol;hydrochloride, 2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol, 2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol;hydrochloride, 7-methoxy-2-benzofurancarboxylic acid ethyl ester, 7-methoxycoumarilic acid ethyl ester, [2-[[2-(4-aminophenyl)ethylamino]methyl]phenyl]methanol, ethyl 7-methoxy-1-benzofuran-2-carboxylate, ethyl 7-methoxybenzofuran-2-carboxylate
Molecular formula C12H12O4, C16H19ClN2O3, C16H20N2O, C16H21ClN2O
SMILES C1=CC=C(C(=C1)CNCCC2=CC=C(C=C2)N)CO, C1=CC=C(C=C1)C(CNCCC2=CC=C(C=C2)N)O, C1=CC=C(C=C1)C(CNCCC2=CC=C(C=C2)N)O.Cl, C1=CC=C(C=C1)C(CNCCC2=CC=C(C=C2)[N+](=O)[O-])O.Cl, C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)N)O.Cl, C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)[N+](=O)[O-])O.Cl, CCOC(=O)C1=CC2=C(O1)C(=CC=C2)OC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 4498b57e-dd5f-422e-b7a6-757815eb8242 (1r)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanol hydrochloride

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 (1r)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanol hydrochloride Emissions/Emissions to water/Emissions to water, unspecified 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=(1r)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanolhydrochloride||dimension=Environmental > media=Water > water_body=Unknown; cas=521284-22-0; added Common Chemistry CAS names as altLabel: (<em>R</em>)-2-[2-(4-Aminophenyl)ethylamino]-1-phenylethanol hydrochloride, (<em>R</em>)-2-[[2-(4-Aminophenyl)ethyl]amino]-1-phenylethanol monohydrochloride, (R)-2-(4-Aminophenethylamino)-1-phenylethanol hydrochloride, (R)-2-[(2-(4-Aminophenyl)ethyl)amino]-1-phenylethanol monohydrochloride, (R)-2-[[2-(4-Aminophenyl)ethyl]amino]-1-phenylethanol hydrochloride, Benzenemethanol, α-[[[2-(4-aminophenyl)ethyl]amino]methyl]-, hydrochloride (1:1), (α<em>R</em>)-, Benzenemethanol, α-[[[2-(4-aminophenyl)ethyl]amino]methyl]-, monohydrochloride, (α<em>R</em>)-, YM 208876; object_uuid=fo-e4bc2b5d140c1581
cas_match_labels 1 — consensus_match group_key=(1r)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanolhydrochloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'521284-22-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e4bc2b5d140c1581: {'521284-22-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(<em>R</em>)-2-[2-(4-Aminophenyl)ethylamino]-1-phenylethanol hydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:521284-22-0', 'https://commonchemistry.cas.org/detail?cas_rn=521284-22-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(<em>R</em>)-2-[[2-(4-Aminophenyl)ethyl]amino]-1-phenylethanol monohydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:521284-22-0', 'https://commonchemistry.cas.org/detail?cas_rn=521284-22-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(R)-2-(4-Aminophenethylamino)-1-phenylethanol hydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:521284-22-0', 'https://commonchemistry.cas.org/detail?cas_rn=521284-22-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(R)-2-[(2-(4-Aminophenyl)ethyl)amino]-1-phenylethanol monohydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:521284-22-0', 'https://commonchemistry.cas.org/detail?cas_rn=521284-22-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(R)-2-[[2-(4-Aminophenyl)ethyl]amino]-1-phenylethanol hydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:521284-22-0', 'https://commonchemistry.cas.org/detail?cas_rn=521284-22-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenemethanol, α-[[[2-(4-aminophenyl)ethyl]amino]methyl]-, hydrochloride (1:1), (α<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:521284-22-0', 'https://commonchemistry.cas.org/detail?cas_rn=521284-22-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenemethanol, α-[[[2-(4-aminophenyl)ethyl]amino]methyl]-, monohydrochloride, (α<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:521284-22-0', 'https://commonchemistry.cas.org/detail?cas_rn=521284-22-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'YM 208876', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:521284-22-0', 'https://commonchemistry.cas.org/detail?cas_rn=521284-22-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=(1r)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanolhydrochloride||dimension=Environmental > media=Water > water_body=Unknown; cas=521284-22-0; added Common Chemistry CAS names as altLabel: (<em>R</em>)-2-[2-(4-Aminophenyl)ethylamino]-1-phenylethanol hydrochloride, (<em>R</em>)-2-[[2-(4-Aminophenyl)ethyl]amino]-1-phenylethanol monohydrochloride, (R)-2-(4-Aminophenethylamino)-1-phenylethanol hydrochloride, (R)-2-[(2-(4-Aminophenyl)ethyl)amino]-1-phenylethanol monohydrochloride, (R)-2-[[2-(4-Aminophenyl)ethyl]amino]-1-phenylethanol hydrochloride, Benzenemethanol, α-[[[2-(4-aminophenyl)ethyl]amino]methyl]-, hydrochloride (1:1), (α<em>R</em>)-, Benzenemethanol, α-[[[2-(4-aminophenyl)ethyl]amino]methyl]-, monohydrochloride, (α<em>R</em>)-, YM 208876; object_uuid=fo-e4bc2b5d140c1581
cas_match_labels None {'521284-22-0': 'exactMatch'} group_key=(1r)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanolhydrochloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'521284-22-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e4bc2b5d140c1581: {'521284-22-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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