← Back to consensus flow objects
6,8-dimethylquinoline
| Flow Object ID | fo-8b4bee98d843a7b0 | ||||||
|---|---|---|---|---|---|---|---|
| Type | Consensus | ||||||
| prefLabel |
|
||||||
| Alt Labels |
|
||||||
| CAS Numbers | 2436-93-3 | ||||||
| EC Numbers | 219-434-9 | ||||||
| Changes Applied | 26 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
BWQLKOVOMJYRIJ-UHFFFAOYSA-N, FLKLIBMSIJFKHS-UHFFFAOYSA-N, RLZSSWLXBLSQKI-UHFFFAOYSA-N, WXHBARFLTIZGFD-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C10H13BrN2O2/c1-2-3-6-12-10-5-4-8(13(14)15)7-9(10)11/h4-5,7,12H,2-3,6H2,1H3, InChI=1S/C10H13BrN2O2/c1-2-8(11)7-12-9-3-5-10(6-4-9)13(14)15/h3-6,8,12H,2,7H2,1H3, InChI=1S/C11H11N/c1-8-6-9(2)11-10(7-8)4-3-5-12-11/h3-7H,1-2H3, InChI=1S/C18H23NO3.ClH/c1-14(2)19-12-15(20)13-21-17-10-6-7-11-18(17)22-16-8-4-3-5-9-16;/h3-11,14-15,19-20H,12-13H2,1-2H3;1H
|
| IUPAC name |
(2-bromo-4-nitro-phenyl)-butyl-amine, 1-(2-phenoxyphenoxy)-3-(propan-2-ylamino)-2-propanol;hydrochloride, 1-(2-phenoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride, 1-(isopropylamino)-3-(2-phenoxyphenoxy)propan-2-ol;hydrochloride, 2-bromanyl-N-butyl-4-nitro-aniline, 2-bromo-N-butyl-4-nitro-aniline, 2-bromo-N-butyl-4-nitroaniline, 2-bromobutyl-(4-nitrophenyl)amine, 6,8-dimethylquinoline, N-(2-bromanylbutyl)-4-nitro-aniline, N-(2-bromobutyl)-4-nitro-aniline, N-(2-bromobutyl)-4-nitroaniline
|
| Molecular formula |
C10H13BrN2O2, C11H11N, C18H24ClNO3
|
| SMILES |
CC(C)NCC(COC1=CC=CC=C1OC2=CC=CC=C2)O.Cl, CC1=CC(=C2C(=C1)C=CC=N2)C, CCC(CNC1=CC=C(C=C1)[N+](=O)[O-])Br, CCCCNC1=C(C=C(C=C1)[N+](=O)[O-])Br
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J134.845K
- https://chem.echa.europa.eu/100.017.668
- https://commonchemistry.cas.org/detail?cas_rn=21299-86-5
- https://commonchemistry.cas.org/detail?cas_rn=2436-93-3
- https://comptox.epa.gov/dashboard/DTXSID30870975
- https://comptox.epa.gov/dashboard/DTXSID40943801
- https://pubchem.ncbi.nlm.nih.gov/compound/210565
- https://pubchem.ncbi.nlm.nih.gov/compound/43742378
- https://pubchem.ncbi.nlm.nih.gov/compound/71433001
- https://pubchem.ncbi.nlm.nih.gov/compound/75528
- https://www.wikidata.org/wiki/Q82855124
- https://www.wikidata.org/wiki/Q82920961
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
7f4cbd5e… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 2 |
104af6f1… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
1f1d5495… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 2 |
44a1c4dc… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 2 |
28ee1bbc… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
3d6a76c5… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
da7536d1… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 2 |
60790261… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 2 |
6c80d5c4… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 2 |
d13e17bc… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 2 |
8a0ff150… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
104af6f1… |
altLabel |
— |
[{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0 |
104af6f1… |
cas_match_labels |
— |
{"2436-93-3":"exactMatch"} |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'} |
1ed71a9e… |
altLabel |
— |
[{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0 |
1ed71a9e… |
cas_match_labels |
— |
{"2436-93-3":"exactMatch"} |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'} |
1f1d5495… |
altLabel |
— |
[{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0 |
1f1d5495… |
cas_match_labels |
— |
{"2436-93-3":"exactMatch"} |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'} |
28ee1bbc… |
altLabel |
— |
[{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0 |
28ee1bbc… |
cas_match_labels |
— |
{"2436-93-3":"exactMatch"} |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'} |
3d6a76c5… |
altLabel |
— |
[{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0 |
3d6a76c5… |
cas_match_labels |
— |
{"2436-93-3":"exactMatch"} |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'} |
44a1c4dc… |
altLabel |
— |
[{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0 |
44a1c4dc… |
cas_match_labels |
— |
{"2436-93-3":"exactMatch"} |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'} |
60790261… |
altLabel |
— |
[{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0 |
60790261… |
cas_match_labels |
— |
{"2436-93-3":"exactMatch"} |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'} |
6c80d5c4… |
altLabel |
— |
[{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0 |
6c80d5c4… |
cas_match_labels |
— |
{"2436-93-3":"exactMatch"} |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'} |
7f4cbd5e… |
altLabel |
— |
[{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0 |
7f4cbd5e… |
cas_match_labels |
— |
{"2436-93-3":"exactMatch"} |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'} |
8a0ff150… |
altLabel |
— |
[{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0 |
8a0ff150… |
cas_match_labels |
— |
{"2436-93-3":"exactMatch"} |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'} |
d13e17bc… |
altLabel |
— |
[{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0 |
d13e17bc… |
cas_match_labels |
— |
{"2436-93-3":"exactMatch"} |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'} |
da7536d1… |
altLabel |
— |
[{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0 |
da7536d1… |
cas_match_labels |
— |
{"2436-93-3":"exactMatch"} |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'} |
f9751fd8… |
altLabel |
— |
[{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0 |
f9751fd8… |
cas_match_labels |
— |
{"2436-93-3":"exactMatch"} |
group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-8b4bee98d843a7b0",
"prefLabel": [
{
"@value": "6,8-dimethylquinoline",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "prefLabel"
}
}
],
"altLabel": [
{
"@value": "Quinoline, 6,8-dimethyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "altLabel"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C10H13BrN2O2",
"C11H11N",
"C18H24ClNO3"
],
"rdfs:label": "Molecular formula",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:75528",
"CID:210565",
"CID:43742378",
"CID:71433001"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"BWQLKOVOMJYRIJ-UHFFFAOYSA-N",
"FLKLIBMSIJFKHS-UHFFFAOYSA-N",
"RLZSSWLXBLSQKI-UHFFFAOYSA-N",
"WXHBARFLTIZGFD-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:75528",
"CID:210565",
"CID:43742378",
"CID:71433001"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CC(C)NCC(COC1=CC=CC=C1OC2=CC=CC=C2)O.Cl",
"CC1=CC(=C2C(=C1)C=CC=N2)C",
"CCC(CNC1=CC=C(C=C1)[N+](=O)[O-])Br",
"CCCCNC1=C(C=C(C=C1)[N+](=O)[O-])Br"
],
"rdfs:label": "SMILES",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:75528",
"CID:210565",
"CID:43742378",
"CID:71433001"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C10H13BrN2O2/c1-2-3-6-12-10-5-4-8(13(14)15)7-9(10)11/h4-5,7,12H,2-3,6H2,1H3",
"InChI=1S/C10H13BrN2O2/c1-2-8(11)7-12-9-3-5-10(6-4-9)13(14)15/h3-6,8,12H,2,7H2,1H3",
"InChI=1S/C11H11N/c1-8-6-9(2)11-10(7-8)4-3-5-12-11/h3-7H,1-2H3",
"InChI=1S/C18H23NO3.ClH/c1-14(2)19-12-15(20)13-21-17-10-6-7-11-18(17)22-16-8-4-3-5-9-16;/h3-11,14-15,19-20H,12-13H2,1-2H3;1H"
],
"rdfs:label": "InChI",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:75528",
"CID:210565",
"CID:43742378",
"CID:71433001"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"(2-bromo-4-nitro-phenyl)-butyl-amine",
"1-(2-phenoxyphenoxy)-3-(propan-2-ylamino)-2-propanol;hydrochloride",
"1-(2-phenoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride",
"1-(isopropylamino)-3-(2-phenoxyphenoxy)propan-2-ol;hydrochloride",
"2-bromanyl-N-butyl-4-nitro-aniline",
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