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Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-, Acetate (1:1)

UUID c9bccd77-fdd3-4d82-a76a-c83fee91c40a
Flow Object IDfo-f11bfd1f5b8c18ec
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 41272-40-6
EC Numbers 255-288-2
prefLabel
Language Value Provenance
en Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-, Acetate (1:1)
altLabel
Language Value Provenance
en Malachite green acetate
en Methanaminium, <em>N</em>-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-<em>N</em>-methyl-, acetate
en Methanaminium, <em>N</em>-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-<em>N</em>-methyl-, acetate (1:1)
References
Shared Properties
Predicate Value
InChIKey JORAGBAOOQINIM-UHFFFAOYSA-N, LXHOGENDFZKPSF-UHFFFAOYSA-N, VPJMOSKUCQUJHU-UHFFFAOYSA-M, WZQBRQMVLLLQII-UHFFFAOYSA-M
InChI InChI=1S/C23H25N2.C2H4O2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;1-2(3)4/h5-17H,1-4H3;1H3,(H,3,4)/q+1;/p-1, InChI=1S/C23H26N2O/c1-24(2)21-14-10-19(11-15-21)23(26,18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,26H,1-4H3, InChI=1S/C23H27N3.2C2H4O2/c1-26(2)21-10-8-19(9-11-21)22(18-6-4-3-5-7-18)20-12-14-23(16-24,17-25)15-13-20;2*1-2(3)4/h3-15H,16-17,24-25H2,1-2H3;2*1H3,(H,3,4), InChI=1S/C31H58NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32(26-29(2)33,27-30(3)34)28-31-23-20-19-21-24-31;/h19-21,23-24,29-30,33-34H,4-18,22,25-28H2,1-3H3;1H/q+1;/p-1
IUPAC name [1-(ammoniomethyl)-4-[[4-(dimethylamino)phenyl]-phenyl-methylene]cyclohexa-2,5-dien-1-yl]methylammonium diacetate, [1-(ammoniomethyl)-4-[[4-(dimethylamino)phenyl]-phenylmethylidene]-1-cyclohexa-2,5-dienyl]methylammonium diacetate, [1-(azaniumylmethyl)-4-[[4-(dimethylamino)phenyl]-phenyl-methylene]cyclohexa-2,5-dien-1-yl]methylammonium diacetate, [1-(azaniumylmethyl)-4-[[4-(dimethylamino)phenyl]-phenyl-methylidene]cyclohexa-2,5-dien-1-yl]methylazanium diethanoate, [1-(azaniumylmethyl)-4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-yl]methylazanium diacetate, [4-[[4-(dimethylamino)phenyl]-phenyl-methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium acetate, [4-[[4-(dimethylamino)phenyl]-phenyl-methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium ethanoate, [4-[[4-(dimethylamino)phenyl]-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium acetate, [4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium acetate, benzyl-bis(2-hydroxypropyl)-octadecyl-ammonium chloride, benzyl-bis(2-hydroxypropyl)-octadecylazanium chloride, benzyl-bis(2-hydroxypropyl)-stearyl-ammonium chloride, bis(2-hydroxypropyl)-octadecyl-(phenylmethyl)ammonium chloride, bis[4-(dimethylamino)phenyl]-phenyl-methanol, bis[4-(dimethylamino)phenyl]-phenylmethanol, octadecyl-bis(2-oxidanylpropyl)-(phenylmethyl)azanium chloride
Molecular formula C23H26N2O, C25H28N2O2, C27H35N3O4, C31H58ClNO2
SMILES CC(=O)[O-].CC(=O)[O-].CN(C)C1=CC=C(C=C1)C(=C2C=CC(C=C2)(C[NH3+])C[NH3+])C3=CC=CC=C3, CC(=O)[O-].CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3, CCCCCCCCCCCCCCCCCC[N+](CC1=CC=CC=C1)(CC(C)O)CC(C)O.[Cl-], CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)N(C)C)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 c9bccd77-fdd3-4d82-a76a-c83fee91c40a methanaminium, n-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-, acetate (1:1)

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 methanaminium, n-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-, acetate (1:1) Emissions/Emissions to air/Emissions to air, indoor 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=methanaminium,n-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-,acetate(1:1)||dimension=Environmental > media=Air > strata=Unknown; cas=41272-40-6; added Common Chemistry CAS names as altLabel: Malachite green acetate, Methanaminium, <em>N</em>-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-<em>N</em>-methyl-, acetate, Methanaminium, <em>N</em>-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-<em>N</em>-methyl-, acetate (1:1); object_uuid=fo-f11bfd1f5b8c18ec
cas_match_labels 1 consensus_match group_key=methanaminium,n-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-,acetate(1:1)||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'41272-40-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f11bfd1f5b8c18ec: {'41272-40-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Malachite green acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:41272-40-6', 'https://commonchemistry.cas.org/detail?cas_rn=41272-40-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methanaminium, <em>N</em>-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-<em>N</em>-methyl-, acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:41272-40-6', 'https://commonchemistry.cas.org/detail?cas_rn=41272-40-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methanaminium, <em>N</em>-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-<em>N</em>-methyl-, acetate (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:41272-40-6', 'https://commonchemistry.cas.org/detail?cas_rn=41272-40-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=methanaminium,n-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-,acetate(1:1)||dimension=Environmental > media=Air > strata=Unknown; cas=41272-40-6; added Common Chemistry CAS names as altLabel: Malachite green acetate, Methanaminium, <em>N</em>-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-<em>N</em>-methyl-, acetate, Methanaminium, <em>N</em>-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-<em>N</em>-methyl-, acetate (1:1); object_uuid=fo-f11bfd1f5b8c18ec
cas_match_labels None {'41272-40-6': 'exactMatch'} group_key=methanaminium,n-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-,acetate(1:1)||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'41272-40-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f11bfd1f5b8c18ec: {'41272-40-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "[1-(ammoniomethyl)-4-[[4-(dimethylamino)phenyl]-phenylmethylidene]-1-cyclohexa-2,5-dienyl]methylammonium diacetate",
        "[1-(azaniumylmethyl)-4-[[4-(dimethylamino)phenyl]-phenyl-methylene]cyclohexa-2,5-dien-1-yl]methylammonium diacetate",
        "[1-(azaniumylmethyl)-4-[[4-(dimethylamino)phenyl]-phenyl-methylidene]cyclohexa-2,5-dien-1-yl]methylazanium diethanoate",
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