← Back to consensus flow objects
1-nitrosohydantoin
| Flow Object ID | fo-a013bbc5afe97255 | ||||
|---|---|---|---|---|---|
| Type | Consensus | ||||
| prefLabel |
|
||||
| CAS Numbers | 42579-28-2 | ||||
| Changes Applied | 13 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
KEBHAGCGNZKVDO-DUXPYHPUSA-N, UIDGJTUNLMQGLT-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C13H13Cl2NO2/c14-11-3-1-10(9-12(11)15)2-4-13(17)16-5-7-18-8-6-16/h1-4,9H,5-8H2/b4-2+, InChI=1S/C3H3N3O3/c7-2-1-6(5-9)3(8)4-2/h1H2,(H,4,7,8)
|
| IUPAC name |
(E)-3-(3,4-dichlorophenyl)-1-(4-morpholinyl)-2-propen-1-one, (E)-3-(3,4-dichlorophenyl)-1-morpholin-4-yl-prop-2-en-1-one, (E)-3-(3,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one, (E)-3-(3,4-dichlorophenyl)-1-morpholino-prop-2-en-1-one, 1-nitrosohydantoin, 1-nitrosoimidazolidine-2,4-dione
|
| Molecular formula |
C13H13Cl2NO2, C3H3N3O3
|
| SMILES |
C1C(=O)NC(=O)N1N=O, C1COCCN1C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl, C1COCCN1C(=O)C=CC2=CC(=C(C=C2)Cl)Cl
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.780D
- https://commonchemistry.cas.org/detail?cas_rn=42579-28-2
- https://comptox.epa.gov/dashboard/DTXSID5021041
- https://comptox.epa.gov/dashboard/DTXSID601036270
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/J9SZ3F9YPX
- https://pubchem.ncbi.nlm.nih.gov/compound/898470
- https://pubchem.ncbi.nlm.nih.gov/compound/93239
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1556263
- https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=144279
- https://www.wikidata.org/wiki/Q81983711
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
3e4d5081… |
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 |
1f66bf51… |
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 |
4d9a8790… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 1 |
4d9a8790… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 1 |
4d9a8790… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 1 |
4d9a8790… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 1 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
1f66bf51… |
cas_match_labels |
— |
{"42579-28-2":"exactMatch"} |
group_key=1-nitrosohydantoin||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'42579-28-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a013bbc5afe97255: {'42579-28-2': 'exactMatch'} |
3e4d5081… |
cas_match_labels |
— |
{"42579-28-2":"exactMatch"} |
group_key=1-nitrosohydantoin||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'42579-28-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a013bbc5afe97255: {'42579-28-2': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"42579-28-2":"exactMatch"} |
group_key=1-nitrosohydantoin||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'42579-28-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a013bbc5afe97255: {'42579-28-2': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"42579-28-2":"exactMatch"} |
group_key=1-nitrosohydantoin||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'42579-28-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a013bbc5afe97255: {'42579-28-2': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"42579-28-2":"exactMatch"} |
group_key=1-nitrosohydantoin||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'42579-28-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a013bbc5afe97255: {'42579-28-2': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"42579-28-2":"exactMatch"} |
group_key=1-nitrosohydantoin||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'42579-28-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a013bbc5afe97255: {'42579-28-2': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"42579-28-2":"exactMatch"} |
group_key=1-nitrosohydantoin||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'42579-28-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a013bbc5afe97255: {'42579-28-2': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"42579-28-2":"exactMatch"} |
group_key=1-nitrosohydantoin||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'42579-28-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a013bbc5afe97255: {'42579-28-2': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"42579-28-2":"exactMatch"} |
group_key=1-nitrosohydantoin||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'42579-28-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a013bbc5afe97255: {'42579-28-2': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"42579-28-2":"exactMatch"} |
group_key=1-nitrosohydantoin||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'42579-28-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a013bbc5afe97255: {'42579-28-2': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"42579-28-2":"exactMatch"} |
group_key=1-nitrosohydantoin||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'42579-28-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a013bbc5afe97255: {'42579-28-2': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"42579-28-2":"exactMatch"} |
group_key=1-nitrosohydantoin||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'42579-28-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a013bbc5afe97255: {'42579-28-2': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"42579-28-2":"exactMatch"} |
group_key=1-nitrosohydantoin||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'42579-28-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a013bbc5afe97255: {'42579-28-2': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-a013bbc5afe97255",
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"@language": "en",
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"C1COCCN1C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl",
"C1COCCN1C(=O)C=CC2=CC(=C(C=C2)Cl)Cl"
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"https://w3id.org/chemrof/inchi2d_string": {
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"InChI=1S/C3H3N3O3/c7-2-1-6(5-9)3(8)4-2/h1H2,(H,4,7,8)"
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},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"(E)-3-(3,4-dichlorophenyl)-1-(4-morpholinyl)-2-propen-1-one",
"(E)-3-(3,4-dichlorophenyl)-1-morpholin-4-yl-prop-2-en-1-one",
"(E)-3-(3,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one",
"(E)-3-(3,4-dichlorophenyl)-1-morpholino-prop-2-en-1-one",
"1-nitrosohydantoin",
"1-nitrosoimidazolidine-2,4-dione"
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