← Back to consensus flow objects
S-(+)-2-methyl-n-nitrosopiperidine
| Flow Object ID | fo-93243c1a48dc7751 | ||||
|---|---|---|---|---|---|
| Type | Consensus | ||||
| prefLabel |
|
||||
| CAS Numbers | 36702-44-0 | ||||
| Changes Applied | 13 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
SSDMRRKACNNGMA-UHFFFAOYSA-N, SSPVLHFEMWOTGD-LURJTMIESA-N
|
| InChI |
InChI=1S/C20H15N3O/c1-14-11-12-23-18(13-14)21-19(20(23)22-24)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,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, 7-methyl-3-nitroso-2-(4-phenylphenyl)imidazo[1,2-a]pyridine
|
| Molecular formula |
C20H15N3O, C6H12N2O
|
| SMILES |
CC1=CC2=NC(=C(N2C=C1)N=O)C3=CC=C(C=C3)C4=CC=CC=C4, CC1CCCCN1N=O, C[C@H]1CCCCN1N=O
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.600.690D
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.453H
- https://commonchemistry.cas.org/detail?cas_rn=36702-44-0
- https://comptox.epa.gov/dashboard/DTXSID1020853
- https://comptox.epa.gov/dashboard/DTXSID50189930
- https://pubchem.ncbi.nlm.nih.gov/compound/487358
- https://pubchem.ncbi.nlm.nih.gov/compound/93193
- https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=109922
- https://www.wikidata.org/wiki/Q76009680
- https://www.wikidata.org/wiki/Q83062157
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
3e4d2995… |
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 |
e1813d1b… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
fe0acd60… |
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 |
|---|---|---|---|---|
3e4d2995… |
cas_match_labels |
— |
{"36702-44-0":"exactMatch"} |
group_key=s-(+)-2-methyl-n-nitrosopiperidine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'36702-44-0': []}; assigned CAS labels from group consensus; object_uuid=fo-93243c1a48dc7751: {'36702-44-0': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"36702-44-0":"exactMatch"} |
group_key=s-(+)-2-methyl-n-nitrosopiperidine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'36702-44-0': []}; assigned CAS labels from group consensus; object_uuid=fo-93243c1a48dc7751: {'36702-44-0': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"36702-44-0":"exactMatch"} |
group_key=s-(+)-2-methyl-n-nitrosopiperidine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'36702-44-0': []}; assigned CAS labels from group consensus; object_uuid=fo-93243c1a48dc7751: {'36702-44-0': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"36702-44-0":"exactMatch"} |
group_key=s-(+)-2-methyl-n-nitrosopiperidine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'36702-44-0': []}; assigned CAS labels from group consensus; object_uuid=fo-93243c1a48dc7751: {'36702-44-0': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"36702-44-0":"exactMatch"} |
group_key=s-(+)-2-methyl-n-nitrosopiperidine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'36702-44-0': []}; assigned CAS labels from group consensus; object_uuid=fo-93243c1a48dc7751: {'36702-44-0': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"36702-44-0":"exactMatch"} |
group_key=s-(+)-2-methyl-n-nitrosopiperidine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'36702-44-0': []}; assigned CAS labels from group consensus; object_uuid=fo-93243c1a48dc7751: {'36702-44-0': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"36702-44-0":"exactMatch"} |
group_key=s-(+)-2-methyl-n-nitrosopiperidine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'36702-44-0': []}; assigned CAS labels from group consensus; object_uuid=fo-93243c1a48dc7751: {'36702-44-0': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"36702-44-0":"exactMatch"} |
group_key=s-(+)-2-methyl-n-nitrosopiperidine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'36702-44-0': []}; assigned CAS labels from group consensus; object_uuid=fo-93243c1a48dc7751: {'36702-44-0': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"36702-44-0":"exactMatch"} |
group_key=s-(+)-2-methyl-n-nitrosopiperidine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'36702-44-0': []}; assigned CAS labels from group consensus; object_uuid=fo-93243c1a48dc7751: {'36702-44-0': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"36702-44-0":"exactMatch"} |
group_key=s-(+)-2-methyl-n-nitrosopiperidine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'36702-44-0': []}; assigned CAS labels from group consensus; object_uuid=fo-93243c1a48dc7751: {'36702-44-0': 'exactMatch'} |
4d9a8790… |
cas_match_labels |
— |
{"36702-44-0":"exactMatch"} |
group_key=s-(+)-2-methyl-n-nitrosopiperidine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'36702-44-0': []}; assigned CAS labels from group consensus; object_uuid=fo-93243c1a48dc7751: {'36702-44-0': 'exactMatch'} |
e1813d1b… |
cas_match_labels |
— |
{"36702-44-0":"exactMatch"} |
group_key=s-(+)-2-methyl-n-nitrosopiperidine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'36702-44-0': []}; assigned CAS labels from group consensus; object_uuid=fo-93243c1a48dc7751: {'36702-44-0': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"36702-44-0":"exactMatch"} |
group_key=s-(+)-2-methyl-n-nitrosopiperidine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'36702-44-0': []}; assigned CAS labels from group consensus; object_uuid=fo-93243c1a48dc7751: {'36702-44-0': 'exactMatch'} |
Flow Object JSON
{
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"altLabel": [],
"properties": {
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"CC1CCCCN1N=O",
"C[C@H]1CCCCN1N=O"
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"https://w3id.org/chemrof/inchi2d_string": {
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"InChI=1S/C6H12N2O/c1-6-4-2-3-5-8(6)7-9/h6H,2-5H2,1H3/t6-/m0/s1"
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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",
"7-methyl-3-nitroso-2-(4-phenylphenyl)imidazo[1,2-a]pyridine"
],
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