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N,n-diethyl-4-(4'-[pyridyl-1'-oxide]azo)aniline
| Flow Object ID | fo-00c0949130474cf1 | ||||
|---|---|---|---|---|---|
| Type | Consensus | ||||
| prefLabel |
|
||||
| CAS Numbers | 7347-49-1 | ||||
| Changes Applied | 13 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
IXDKAJLKGJBFHD-UHFFFAOYSA-N, KSSLUCNXTYSFDY-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C15H18N4O/c1-3-18(4-2)15-7-5-13(6-8-15)16-17-14-9-11-19(20)12-10-14/h5-12H,3-4H2,1-2H3, InChI=1S/C16H16O3/c1-16(2,14-11-7-4-8-12-14)19-18-15(17)13-9-5-3-6-10-13/h3-12H,1-2H3
|
| IUPAC name |
(1-methyl-1-phenyl-ethyl) benzenecarboperoxoate, 2-phenylpropan-2-yl benzenecarboperoxoate, N,N-diethyl-4-(1-oxidopyridin-1-ium-4-yl)azo-aniline, N,N-diethyl-4-[(1-oxidanidylpyridin-1-ium-4-yl)diazenyl]aniline, N,N-diethyl-4-[(1-oxido-4-pyridin-1-iumyl)azo]aniline, N,N-diethyl-4-[(1-oxidopyridin-1-ium-4-yl)diazenyl]aniline, benzenecarboperoxoic acid 2-phenylpropan-2-yl ester, benzenecarboperoxoic acid cumyl ester, diethyl-[4-(1-oxidopyridin-1-ium-4-yl)azophenyl]amine
|
| Molecular formula |
C15H18N4O, C16H16O3
|
| SMILES |
CC(C)(C1=CC=CC=C1)OOC(=O)C2=CC=CC=C2, CCN(CC)C1=CC=C(C=C1)N=NC2=CC=[N+](C=C2)[O-]
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J227.366G
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.402C
- https://chem.echa.europa.eu/100.027.610
- https://commonchemistry.cas.org/detail?cas_rn=7074-00-2
- https://commonchemistry.cas.org/detail?cas_rn=7347-49-1
- https://comptox.epa.gov/dashboard/DTXSID70221008
- https://comptox.epa.gov/dashboard/DTXSID9020457
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/R9NBB5UM93
- https://pubchem.ncbi.nlm.nih.gov/compound/81524
- https://pubchem.ncbi.nlm.nih.gov/compound/81809
- https://www.wikidata.org/wiki/Q81976198
- https://www.wikidata.org/wiki/Q83098568
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
290550f8… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
df9424ff… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
08a91e70… |
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 |
08a91e70… |
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 |
— |
{"7347-49-1":"exactMatch"} |
group_key=n,n-diethyl-4-(4'-[pyridyl-1'-oxide]azo)aniline||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'7347-49-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-00c0949130474cf1: {'7347-49-1': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"7347-49-1":"exactMatch"} |
group_key=n,n-diethyl-4-(4'-[pyridyl-1'-oxide]azo)aniline||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'7347-49-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-00c0949130474cf1: {'7347-49-1': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"7347-49-1":"exactMatch"} |
group_key=n,n-diethyl-4-(4'-[pyridyl-1'-oxide]azo)aniline||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'7347-49-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-00c0949130474cf1: {'7347-49-1': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"7347-49-1":"exactMatch"} |
group_key=n,n-diethyl-4-(4'-[pyridyl-1'-oxide]azo)aniline||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'7347-49-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-00c0949130474cf1: {'7347-49-1': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"7347-49-1":"exactMatch"} |
group_key=n,n-diethyl-4-(4'-[pyridyl-1'-oxide]azo)aniline||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'7347-49-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-00c0949130474cf1: {'7347-49-1': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"7347-49-1":"exactMatch"} |
group_key=n,n-diethyl-4-(4'-[pyridyl-1'-oxide]azo)aniline||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'7347-49-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-00c0949130474cf1: {'7347-49-1': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"7347-49-1":"exactMatch"} |
group_key=n,n-diethyl-4-(4'-[pyridyl-1'-oxide]azo)aniline||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'7347-49-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-00c0949130474cf1: {'7347-49-1': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"7347-49-1":"exactMatch"} |
group_key=n,n-diethyl-4-(4'-[pyridyl-1'-oxide]azo)aniline||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'7347-49-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-00c0949130474cf1: {'7347-49-1': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"7347-49-1":"exactMatch"} |
group_key=n,n-diethyl-4-(4'-[pyridyl-1'-oxide]azo)aniline||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'7347-49-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-00c0949130474cf1: {'7347-49-1': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"7347-49-1":"exactMatch"} |
group_key=n,n-diethyl-4-(4'-[pyridyl-1'-oxide]azo)aniline||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'7347-49-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-00c0949130474cf1: {'7347-49-1': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"7347-49-1":"exactMatch"} |
group_key=n,n-diethyl-4-(4'-[pyridyl-1'-oxide]azo)aniline||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'7347-49-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-00c0949130474cf1: {'7347-49-1': 'exactMatch'} |
290550f8… |
cas_match_labels |
— |
{"7347-49-1":"exactMatch"} |
group_key=n,n-diethyl-4-(4'-[pyridyl-1'-oxide]azo)aniline||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'7347-49-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-00c0949130474cf1: {'7347-49-1': 'exactMatch'} |
df9424ff… |
cas_match_labels |
— |
{"7347-49-1":"exactMatch"} |
group_key=n,n-diethyl-4-(4'-[pyridyl-1'-oxide]azo)aniline||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'7347-49-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-00c0949130474cf1: {'7347-49-1': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-00c0949130474cf1",
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"https://w3id.org/chemrof/IUPAC_name": {
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"(1-methyl-1-phenyl-ethyl) benzenecarboperoxoate",
"2-phenylpropan-2-yl benzenecarboperoxoate",
"N,N-diethyl-4-(1-oxidopyridin-1-ium-4-yl)azo-aniline",
"N,N-diethyl-4-[(1-oxidanidylpyridin-1-ium-4-yl)diazenyl]aniline",
"N,N-diethyl-4-[(1-oxido-4-pyridin-1-iumyl)azo]aniline",
"N,N-diethyl-4-[(1-oxidopyridin-1-ium-4-yl)diazenyl]aniline",
"benzenecarboperoxoic acid 2-phenylpropan-2-yl ester",
"benzenecarboperoxoic acid cumyl ester",
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