← Back to consensus flow objects
HFE-125
| Flow Object ID | fo-43bf176b4eeabd04 | ||||
|---|---|---|---|---|---|
| Type | Consensus | ||||
| prefLabel |
|
||||
| CAS Numbers | 3822-68-2 | ||||
| Changes Applied | 12 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
ACYQYBAHTSKBLM-UHFFFAOYSA-N, SSPVLHFEMWOTGD-LURJTMIESA-N, SSPVLHFEMWOTGD-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C2HF5O/c3-1(4)8-2(5,6)7/h1H, InChI=1S/C6H12N2O/c1-6-4-2-3-5-8(6)7-9/h6H,2-5H2,1H3, InChI=1S/C6H12N2O/c1-6-4-2-3-5-8(6)7-9/h6H,2-5H2,1H3/t6-/m0/s1
|
| IUPAC name |
(2S)-2-methyl-1-nitroso-piperidine, (2S)-2-methyl-1-nitrosopiperidine, 2-methyl-1-nitroso-piperidine, 2-methyl-1-nitrosopiperidine, bis(fluoranyl)methoxy-tris(fluoranyl)methane, difluoromethoxy(trifluoro)methane
|
| Molecular formula |
C2HF5O, C6H12N2O
|
| SMILES |
C(OC(F)(F)F)(F)F, CC1CCCCN1N=O, C[C@H]1CCCCN1N=O
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.257H
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.453H
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J665.422C
- https://commonchemistry.cas.org/detail?cas_rn=3822-68-2
- https://commonchemistry.cas.org/detail?cas_rn=7247-89-4
- https://comptox.epa.gov/dashboard/DTXSID1020853
- https://comptox.epa.gov/dashboard/DTXSID20860128
- https://comptox.epa.gov/dashboard/DTXSID4073968
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=51624
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QRP7SFD3QQ
- https://pubchem.ncbi.nlm.nih.gov/compound/23677
- https://pubchem.ncbi.nlm.nih.gov/compound/77443
- https://pubchem.ncbi.nlm.nih.gov/compound/93193
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL165747
- https://www.wikidata.org/wiki/Q66084501
- https://www.wikidata.org/wiki/Q76009680
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
1f319985… |
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) | 2 | 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 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
1f319983… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 0 | 1 |
1f319986… |
EF 3.1 | kg | Environmental → Ground → Unknown | 0 | 1 |
1f319987… |
EF 3.1 | kg | Environmental → Water → Ocean | 0 | 1 |
1f319984… |
EF 3.1 | kg | Environmental → Water → Surface water | 0 | 1 |
1f319989… |
EF 3.1 | kg | Environmental → Water → Unknown | 0 | 1 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
1f319983… |
cas_match_labels |
— |
{"3822-68-2":"exactMatch"} |
group_key=hfe-125||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'3822-68-2': []}; assigned CAS labels from group consensus; object_uuid=fo-43bf176b4eeabd04: {'3822-68-2': 'exactMatch'} |
1f319984… |
cas_match_labels |
— |
{"3822-68-2":"exactMatch"} |
group_key=hfe-125||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'3822-68-2': []}; assigned CAS labels from group consensus; object_uuid=fo-43bf176b4eeabd04: {'3822-68-2': 'exactMatch'} |
1f319985… |
cas_match_labels |
— |
{"3822-68-2":"exactMatch"} |
group_key=hfe-125||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'3822-68-2': []}; assigned CAS labels from group consensus; object_uuid=fo-43bf176b4eeabd04: {'3822-68-2': 'exactMatch'} |
1f319986… |
cas_match_labels |
— |
{"3822-68-2":"exactMatch"} |
group_key=hfe-125||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'3822-68-2': []}; assigned CAS labels from group consensus; object_uuid=fo-43bf176b4eeabd04: {'3822-68-2': 'exactMatch'} |
1f319987… |
cas_match_labels |
— |
{"3822-68-2":"exactMatch"} |
group_key=hfe-125||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'3822-68-2': []}; assigned CAS labels from group consensus; object_uuid=fo-43bf176b4eeabd04: {'3822-68-2': 'exactMatch'} |
1f319988… |
cas_match_labels |
— |
{"3822-68-2":"exactMatch"} |
group_key=hfe-125||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'3822-68-2': []}; assigned CAS labels from group consensus; object_uuid=fo-43bf176b4eeabd04: {'3822-68-2': 'exactMatch'} |
1f319989… |
cas_match_labels |
— |
{"3822-68-2":"exactMatch"} |
group_key=hfe-125||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'3822-68-2': []}; assigned CAS labels from group consensus; object_uuid=fo-43bf176b4eeabd04: {'3822-68-2': 'exactMatch'} |
1f31998a… |
cas_match_labels |
— |
{"3822-68-2":"exactMatch"} |
group_key=hfe-125||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'3822-68-2': []}; assigned CAS labels from group consensus; object_uuid=fo-43bf176b4eeabd04: {'3822-68-2': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"3822-68-2":"exactMatch"} |
group_key=hfe-125||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'3822-68-2': []}; assigned CAS labels from group consensus; object_uuid=fo-43bf176b4eeabd04: {'3822-68-2': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"3822-68-2":"exactMatch"} |
group_key=hfe-125||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'3822-68-2': []}; assigned CAS labels from group consensus; object_uuid=fo-43bf176b4eeabd04: {'3822-68-2': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"3822-68-2":"exactMatch"} |
group_key=hfe-125||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'3822-68-2': []}; assigned CAS labels from group consensus; object_uuid=fo-43bf176b4eeabd04: {'3822-68-2': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"3822-68-2":"exactMatch"} |
group_key=hfe-125||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'3822-68-2': []}; assigned CAS labels from group consensus; object_uuid=fo-43bf176b4eeabd04: {'3822-68-2': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-43bf176b4eeabd04",
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{
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"@language": "en",
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],
"altLabel": [],
"properties": {
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"C6H12N2O"
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"https://w3id.org/chemrof/inchi2d_key_string": {
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"ACYQYBAHTSKBLM-UHFFFAOYSA-N",
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"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"C(OC(F)(F)F)(F)F",
"CC1CCCCN1N=O",
"C[C@H]1CCCCN1N=O"
],
"rdfs:label": "SMILES",
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},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C2HF5O/c3-1(4)8-2(5,6)7/h1H",
"InChI=1S/C6H12N2O/c1-6-4-2-3-5-8(6)7-9/h6H,2-5H2,1H3",
"InChI=1S/C6H12N2O/c1-6-4-2-3-5-8(6)7-9/h6H,2-5H2,1H3/t6-/m0/s1"
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"rdfs:label": "InChI",
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},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"(2S)-2-methyl-1-nitroso-piperidine",
"(2S)-2-methyl-1-nitrosopiperidine",
"2-methyl-1-nitroso-piperidine",
"2-methyl-1-nitrosopiperidine",
"bis(fluoranyl)methoxy-tris(fluoranyl)methane",
"difluoromethoxy(trifluoro)methane"
],
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