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N,n'-[6-(5-nitro-2-furyl)-s-triazine-2,4-diyl]bisacetamide
| Flow Object ID | fo-bd091420f9a50a5b | ||||
|---|---|---|---|---|---|
| Type | Consensus | ||||
| prefLabel |
|
||||
| CAS Numbers | 51325-35-0 | ||||
| Changes Applied | 13 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
OSFMMSIDSIQFIT-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C11H10N6O5/c1-5(18)12-10-14-9(15-11(16-10)13-6(2)19)7-3-4-8(22-7)17(20)21/h3-4H,1-2H3,(H2,12,13,14,15,16,18,19)
|
| IUPAC name |
N-[4-acetamido-6-(5-nitro-2-furanyl)-1,3,5-triazin-2-yl]acetamide, N-[4-acetamido-6-(5-nitro-2-furyl)-1,3,5-triazin-2-yl]acetamide, N-[4-acetamido-6-(5-nitro-2-furyl)-s-triazin-2-yl]acetamide, N-[4-acetamido-6-(5-nitrofuran-2-yl)-1,3,5-triazin-2-yl]acetamide, N-[4-acetamido-6-(5-nitrofuran-2-yl)-1,3,5-triazin-2-yl]ethanamide
|
| Molecular formula |
C11H10N6O5
|
| SMILES |
CC(=O)NC1=NC(=NC(=N1)C2=CC=C(O2)[N+](=O)[O-])NC(=O)C
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.057J
- https://commonchemistry.cas.org/detail?cas_rn=51325-35-0
- https://comptox.epa.gov/dashboard/DTXSID9020954
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/MCS5MQ39SB
- https://pubchem.ncbi.nlm.nih.gov/compound/148534
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL259748
- https://www.wikidata.org/wiki/Q81983653
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
3e4d5089… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 1 |
c353e6b3… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 1 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
3e4d5089… |
cas_match_labels |
— |
{"51325-35-0":"exactMatch"} |
group_key=n,n'-[6-(5-nitro-2-furyl)-s-triazine-2,4-diyl]bisacetamide||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'51325-35-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bd091420f9a50a5b: {'51325-35-0': 'exactMatch'} |
c353e6b3… |
cas_match_labels |
— |
{"51325-35-0":"exactMatch"} |
group_key=n,n'-[6-(5-nitro-2-furyl)-s-triazine-2,4-diyl]bisacetamide||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'51325-35-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bd091420f9a50a5b: {'51325-35-0': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"51325-35-0":"exactMatch"} |
group_key=n,n'-[6-(5-nitro-2-furyl)-s-triazine-2,4-diyl]bisacetamide||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'51325-35-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bd091420f9a50a5b: {'51325-35-0': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"51325-35-0":"exactMatch"} |
group_key=n,n'-[6-(5-nitro-2-furyl)-s-triazine-2,4-diyl]bisacetamide||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'51325-35-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bd091420f9a50a5b: {'51325-35-0': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"51325-35-0":"exactMatch"} |
group_key=n,n'-[6-(5-nitro-2-furyl)-s-triazine-2,4-diyl]bisacetamide||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'51325-35-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bd091420f9a50a5b: {'51325-35-0': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"51325-35-0":"exactMatch"} |
group_key=n,n'-[6-(5-nitro-2-furyl)-s-triazine-2,4-diyl]bisacetamide||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'51325-35-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bd091420f9a50a5b: {'51325-35-0': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"51325-35-0":"exactMatch"} |
group_key=n,n'-[6-(5-nitro-2-furyl)-s-triazine-2,4-diyl]bisacetamide||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'51325-35-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bd091420f9a50a5b: {'51325-35-0': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"51325-35-0":"exactMatch"} |
group_key=n,n'-[6-(5-nitro-2-furyl)-s-triazine-2,4-diyl]bisacetamide||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'51325-35-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bd091420f9a50a5b: {'51325-35-0': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"51325-35-0":"exactMatch"} |
group_key=n,n'-[6-(5-nitro-2-furyl)-s-triazine-2,4-diyl]bisacetamide||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'51325-35-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bd091420f9a50a5b: {'51325-35-0': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"51325-35-0":"exactMatch"} |
group_key=n,n'-[6-(5-nitro-2-furyl)-s-triazine-2,4-diyl]bisacetamide||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'51325-35-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bd091420f9a50a5b: {'51325-35-0': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"51325-35-0":"exactMatch"} |
group_key=n,n'-[6-(5-nitro-2-furyl)-s-triazine-2,4-diyl]bisacetamide||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'51325-35-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bd091420f9a50a5b: {'51325-35-0': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"51325-35-0":"exactMatch"} |
group_key=n,n'-[6-(5-nitro-2-furyl)-s-triazine-2,4-diyl]bisacetamide||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'51325-35-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bd091420f9a50a5b: {'51325-35-0': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"51325-35-0":"exactMatch"} |
group_key=n,n'-[6-(5-nitro-2-furyl)-s-triazine-2,4-diyl]bisacetamide||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'51325-35-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bd091420f9a50a5b: {'51325-35-0': 'exactMatch'} |
Flow Object JSON
{
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},
"https://w3id.org/chemrof/IUPAC_name": {
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"@value": [
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"N-[4-acetamido-6-(5-nitro-2-furyl)-1,3,5-triazin-2-yl]acetamide",
"N-[4-acetamido-6-(5-nitro-2-furyl)-s-triazin-2-yl]acetamide",
"N-[4-acetamido-6-(5-nitrofuran-2-yl)-1,3,5-triazin-2-yl]acetamide",
"N-[4-acetamido-6-(5-nitrofuran-2-yl)-1,3,5-triazin-2-yl]ethanamide"
],
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"seed_uuid": "3e4d5089-6556-11dd-ad8b-0800200c9a66",
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