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N-{[3-(5-nitro-2-furyl)-1,2,4-oxadiazole-5-yl]-methyl}acetamide

Flow Object IDfo-66b4bd25d8c34856
TypeConsensus
prefLabel
Label Language
N-{[3-(5-nitro-2-furyl)-1,2,4-oxadiazole-5-yl]-methyl}acetamide en
CAS Numbers36133-88-7
Changes Applied13

Properties

Predicate Value
InChIKey KOURBVJNDMXAMA-UHFFFAOYSA-N, PGMIMRRUEYBPHM-UHFFFAOYSA-M
InChI InChI=1S/C28H27N2O.ClH/c1-4-30-26-11-7-9-20-8-6-10-25(27(20)26)28(30)21-12-14-22(15-13-21)29(3)23-16-18-24(19-17-23)31-5-2;/h6-19H,4-5H2,1-3H3;1H/q+1;/p-1, InChI=1S/C9H8N4O5/c1-5(14)10-4-7-11-9(12-18-7)6-2-3-8(17-6)13(15)16/h2-3H,4H2,1H3,(H,10,14)
IUPAC name N-(4-ethoxyphenyl)-4-(1-ethyl-2-benzo[cd]indol-1-iumyl)-N-methylaniline chloride, N-(4-ethoxyphenyl)-4-(1-ethylbenzo[cd]indol-1-ium-2-yl)-N-methyl-aniline chloride, N-(4-ethoxyphenyl)-4-(1-ethylbenzo[cd]indol-1-ium-2-yl)-N-methylaniline chloride, N-[[3-(5-nitro-2-furanyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide, N-[[3-(5-nitro-2-furyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide, N-[[3-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide, N-[[3-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamide, [4-(1-ethylbenzo[cd]indol-1-ium-2-yl)phenyl]-methyl-p-phenetyl-amine chloride
Molecular formula C28H27ClN2O, C9H8N4O5
SMILES CC(=O)NCC1=NC(=NO1)C2=CC=C(O2)[N+](=O)[O-], CC[N+]1=C(C2=CC=CC3=C2C1=CC=C3)C4=CC=C(C=C4)N(C)C5=CC=C(C=C5)OCC.[Cl-]

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
3e4d2994… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 1
4d9a8790… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 1
4d9a8790… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 1
4d9a8790… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 1
1027d077… EF 3.1 kg Environmental → Air → Unknown 2 1
4d9a8790… EF 3.1 kg Environmental → Air → Unknown 2 1
4d9a8790… EF 3.1 kg Environmental → Ground → Agricultural 2 1
08a91e70… EF 3.1 kg Environmental → Ground → Unknown 2 1
08a91e70… EF 3.1 kg Environmental → Water → Ocean 2 1
4d9a8790… EF 3.1 kg Environmental → Water → Surface water 2 1
08a91e70… EF 3.1 kg Environmental → Water → Unknown 2 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
08a91e70… cas_match_labels — {"36133-88-7":"exactMatch"} group_key=n-{[3-(5-nitro-2-furyl)-1,2,4-oxadiazole-5-yl]-methyl}acetamide||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'36133-88-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-66b4bd25d8c34856: {'36133-88-7': 'exactMatch'}
08a91e70… cas_match_labels — {"36133-88-7":"exactMatch"} group_key=n-{[3-(5-nitro-2-furyl)-1,2,4-oxadiazole-5-yl]-methyl}acetamide||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'36133-88-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-66b4bd25d8c34856: {'36133-88-7': 'exactMatch'}
08a91e70… cas_match_labels — {"36133-88-7":"exactMatch"} group_key=n-{[3-(5-nitro-2-furyl)-1,2,4-oxadiazole-5-yl]-methyl}acetamide||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'36133-88-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-66b4bd25d8c34856: {'36133-88-7': 'exactMatch'}
1027d077… cas_match_labels — {"36133-88-7":"exactMatch"} group_key=n-{[3-(5-nitro-2-furyl)-1,2,4-oxadiazole-5-yl]-methyl}acetamide||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'36133-88-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-66b4bd25d8c34856: {'36133-88-7': 'exactMatch'}
3e4d2994… cas_match_labels — {"36133-88-7":"exactMatch"} group_key=n-{[3-(5-nitro-2-furyl)-1,2,4-oxadiazole-5-yl]-methyl}acetamide||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'36133-88-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-66b4bd25d8c34856: {'36133-88-7': 'exactMatch'}
4d9a8790… cas_match_labels — {"36133-88-7":"exactMatch"} group_key=n-{[3-(5-nitro-2-furyl)-1,2,4-oxadiazole-5-yl]-methyl}acetamide||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'36133-88-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-66b4bd25d8c34856: {'36133-88-7': 'exactMatch'}
4d9a8790… cas_match_labels — {"36133-88-7":"exactMatch"} group_key=n-{[3-(5-nitro-2-furyl)-1,2,4-oxadiazole-5-yl]-methyl}acetamide||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'36133-88-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-66b4bd25d8c34856: {'36133-88-7': 'exactMatch'}
4d9a8790… cas_match_labels — {"36133-88-7":"exactMatch"} group_key=n-{[3-(5-nitro-2-furyl)-1,2,4-oxadiazole-5-yl]-methyl}acetamide||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'36133-88-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-66b4bd25d8c34856: {'36133-88-7': 'exactMatch'}
4d9a8790… cas_match_labels — {"36133-88-7":"exactMatch"} group_key=n-{[3-(5-nitro-2-furyl)-1,2,4-oxadiazole-5-yl]-methyl}acetamide||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'36133-88-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-66b4bd25d8c34856: {'36133-88-7': 'exactMatch'}
4d9a8790… cas_match_labels — {"36133-88-7":"exactMatch"} group_key=n-{[3-(5-nitro-2-furyl)-1,2,4-oxadiazole-5-yl]-methyl}acetamide||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'36133-88-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-66b4bd25d8c34856: {'36133-88-7': 'exactMatch'}
4d9a8790… cas_match_labels — {"36133-88-7":"exactMatch"} group_key=n-{[3-(5-nitro-2-furyl)-1,2,4-oxadiazole-5-yl]-methyl}acetamide||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'36133-88-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-66b4bd25d8c34856: {'36133-88-7': 'exactMatch'}
4d9a8790… cas_match_labels — {"36133-88-7":"exactMatch"} group_key=n-{[3-(5-nitro-2-furyl)-1,2,4-oxadiazole-5-yl]-methyl}acetamide||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'36133-88-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-66b4bd25d8c34856: {'36133-88-7': 'exactMatch'}
4d9a8790… cas_match_labels — {"36133-88-7":"exactMatch"} group_key=n-{[3-(5-nitro-2-furyl)-1,2,4-oxadiazole-5-yl]-methyl}acetamide||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'36133-88-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-66b4bd25d8c34856: {'36133-88-7': 'exactMatch'}

Flow Object JSON

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        "N-(4-ethoxyphenyl)-4-(1-ethylbenzo[cd]indol-1-ium-2-yl)-N-methyl-aniline chloride",
        "N-(4-ethoxyphenyl)-4-(1-ethylbenzo[cd]indol-1-ium-2-yl)-N-methylaniline chloride",
        "N-[[3-(5-nitro-2-furanyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide",
        "N-[[3-(5-nitro-2-furyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide",
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