← Back to consensus flow objects
Tridecylamine, Branched And Linear
| Flow Object ID | fo-26a24c3dcf714951 | ||||||
|---|---|---|---|---|---|---|---|
| Type | Consensus | ||||||
| prefLabel |
|
||||||
| Alt Labels |
|
||||||
| CAS Numbers | 86089-17-0 | ||||||
| EC Numbers | 289-185-9 | ||||||
| Changes Applied | 26 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
ABVVEAHYODGCLZ-UHFFFAOYSA-N, KFBNTNYCQVDLBK-UHFFFAOYSA-N, NWGMUEAVJOBSEB-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C13H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-14H2,1H3, InChI=1S/C13H29N/c1-3-10-13(4-2)11-8-6-5-7-9-12-14/h13H,3-12,14H2,1-2H3, InChI=1S/C9H16O2S/c1-7(2)9(10)11-5-6-12-8(3)4/h8H,1,5-6H2,2-4H3
|
| IUPAC name |
1-tridecanamine, 2-isopropylsulfanylethyl 2-methylprop-2-enoate, 2-methyl-2-propenoic acid 2-(propan-2-ylthio)ethyl ester, 2-methylacrylic acid 2-(isopropylthio)ethyl ester, 2-propan-2-ylsulfanylethyl 2-methylprop-2-enoate, 8-ethyl-1-undecanamine, 8-ethylundecan-1-amine, 8-ethylundecylamine, tridecan-1-amine, tridecylamine
|
| Molecular formula |
C13H29N, C9H16O2S
|
| SMILES |
CC(C)SCCOC(=O)C(=C)C, CCCC(CC)CCCCCCCN, CCCCCCCCCCCCCN
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J161I
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J333.933E
- https://chem.echa.europa.eu/100.018.813
- https://chem.echa.europa.eu/100.081.012
- https://chem.echa.europa.eu/100.081.049
- https://commonchemistry.cas.org/detail?cas_rn=2869-34-3
- https://commonchemistry.cas.org/detail?cas_rn=86047-53-2
- https://commonchemistry.cas.org/detail?cas_rn=86089-17-0
- https://comptox.epa.gov/dashboard/DTXSID0022199
- https://comptox.epa.gov/dashboard/DTXSID20872302
- https://comptox.epa.gov/dashboard/DTXSID50235365
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5S0KQ9WZ2D
- https://pubchem.ncbi.nlm.nih.gov/compound/22833454
- https://pubchem.ncbi.nlm.nih.gov/compound/3021096
- https://pubchem.ncbi.nlm.nih.gov/compound/40761
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188940
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4091277
- https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=156938
- https://www.wikidata.org/wiki/Q27262797
- https://www.wikidata.org/wiki/Q82855177
- https://www.wikidata.org/wiki/Q83117259
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
a78b8129… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 4 | 2 |
4ce99969… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
44f82838… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 4 | 2 |
944b7081… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 4 | 2 |
4c9ba226… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
7d197059… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
e711bae1… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 4 | 2 |
72b36fb9… |
EF 3.1 | kg | Environmental → Ground → Unknown | 4 | 2 |
3186095f… |
EF 3.1 | kg | Environmental → Water → Ocean | 4 | 2 |
6924ad71… |
EF 3.1 | kg | Environmental → Water → Surface water | 4 | 2 |
15b8cea3… |
EF 3.1 | kg | Environmental → Water → Unknown | 4 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
15b8cea3… |
altLabel |
— |
[{"@value":"Tridecanamine, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:86089-17-0","https://commonchemistry.cas.org/detail?cas_rn=86089-17-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; cas=86089-17-0; added Common Chemistry CAS names as altLabel: Tridecanamine, branched and linear; object_uuid=fo-26a24c3dcf714951 |
15b8cea3… |
cas_match_labels |
— |
{"86089-17-0":"exactMatch"} |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'86089-17-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-26a24c3dcf714951: {'86089-17-0': 'exactMatch'} |
3186095f… |
altLabel |
— |
[{"@value":"Tridecanamine, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:86089-17-0","https://commonchemistry.cas.org/detail?cas_rn=86089-17-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; cas=86089-17-0; added Common Chemistry CAS names as altLabel: Tridecanamine, branched and linear; object_uuid=fo-26a24c3dcf714951 |
3186095f… |
cas_match_labels |
— |
{"86089-17-0":"exactMatch"} |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'86089-17-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-26a24c3dcf714951: {'86089-17-0': 'exactMatch'} |
44f82838… |
altLabel |
— |
[{"@value":"Tridecanamine, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:86089-17-0","https://commonchemistry.cas.org/detail?cas_rn=86089-17-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; cas=86089-17-0; added Common Chemistry CAS names as altLabel: Tridecanamine, branched and linear; object_uuid=fo-26a24c3dcf714951 |
44f82838… |
cas_match_labels |
— |
{"86089-17-0":"exactMatch"} |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'86089-17-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-26a24c3dcf714951: {'86089-17-0': 'exactMatch'} |
4c9ba226… |
altLabel |
— |
[{"@value":"Tridecanamine, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:86089-17-0","https://commonchemistry.cas.org/detail?cas_rn=86089-17-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; cas=86089-17-0; added Common Chemistry CAS names as altLabel: Tridecanamine, branched and linear; object_uuid=fo-26a24c3dcf714951 |
4c9ba226… |
cas_match_labels |
— |
{"86089-17-0":"exactMatch"} |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'86089-17-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-26a24c3dcf714951: {'86089-17-0': 'exactMatch'} |
4ce99969… |
altLabel |
— |
[{"@value":"Tridecanamine, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:86089-17-0","https://commonchemistry.cas.org/detail?cas_rn=86089-17-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; cas=86089-17-0; added Common Chemistry CAS names as altLabel: Tridecanamine, branched and linear; object_uuid=fo-26a24c3dcf714951 |
4ce99969… |
cas_match_labels |
— |
{"86089-17-0":"exactMatch"} |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'86089-17-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-26a24c3dcf714951: {'86089-17-0': 'exactMatch'} |
6924ad71… |
altLabel |
— |
[{"@value":"Tridecanamine, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:86089-17-0","https://commonchemistry.cas.org/detail?cas_rn=86089-17-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; cas=86089-17-0; added Common Chemistry CAS names as altLabel: Tridecanamine, branched and linear; object_uuid=fo-26a24c3dcf714951 |
6924ad71… |
cas_match_labels |
— |
{"86089-17-0":"exactMatch"} |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'86089-17-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-26a24c3dcf714951: {'86089-17-0': 'exactMatch'} |
72b36fb9… |
altLabel |
— |
[{"@value":"Tridecanamine, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:86089-17-0","https://commonchemistry.cas.org/detail?cas_rn=86089-17-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; cas=86089-17-0; added Common Chemistry CAS names as altLabel: Tridecanamine, branched and linear; object_uuid=fo-26a24c3dcf714951 |
72b36fb9… |
cas_match_labels |
— |
{"86089-17-0":"exactMatch"} |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'86089-17-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-26a24c3dcf714951: {'86089-17-0': 'exactMatch'} |
7d197059… |
altLabel |
— |
[{"@value":"Tridecanamine, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:86089-17-0","https://commonchemistry.cas.org/detail?cas_rn=86089-17-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; cas=86089-17-0; added Common Chemistry CAS names as altLabel: Tridecanamine, branched and linear; object_uuid=fo-26a24c3dcf714951 |
7d197059… |
cas_match_labels |
— |
{"86089-17-0":"exactMatch"} |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'86089-17-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-26a24c3dcf714951: {'86089-17-0': 'exactMatch'} |
944b7081… |
altLabel |
— |
[{"@value":"Tridecanamine, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:86089-17-0","https://commonchemistry.cas.org/detail?cas_rn=86089-17-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; cas=86089-17-0; added Common Chemistry CAS names as altLabel: Tridecanamine, branched and linear; object_uuid=fo-26a24c3dcf714951 |
944b7081… |
cas_match_labels |
— |
{"86089-17-0":"exactMatch"} |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'86089-17-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-26a24c3dcf714951: {'86089-17-0': 'exactMatch'} |
a78b8129… |
altLabel |
— |
[{"@value":"Tridecanamine, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:86089-17-0","https://commonchemistry.cas.org/detail?cas_rn=86089-17-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; cas=86089-17-0; added Common Chemistry CAS names as altLabel: Tridecanamine, branched and linear; object_uuid=fo-26a24c3dcf714951 |
a78b8129… |
cas_match_labels |
— |
{"86089-17-0":"exactMatch"} |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'86089-17-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-26a24c3dcf714951: {'86089-17-0': 'exactMatch'} |
e711bae1… |
altLabel |
— |
[{"@value":"Tridecanamine, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:86089-17-0","https://commonchemistry.cas.org/detail?cas_rn=86089-17-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; cas=86089-17-0; added Common Chemistry CAS names as altLabel: Tridecanamine, branched and linear; object_uuid=fo-26a24c3dcf714951 |
e711bae1… |
cas_match_labels |
— |
{"86089-17-0":"exactMatch"} |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'86089-17-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-26a24c3dcf714951: {'86089-17-0': 'exactMatch'} |
fa334f3b… |
altLabel |
— |
[{"@value":"Tridecanamine, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:86089-17-0","https://commonchemistry.cas.org/detail?cas_rn=86089-17-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; cas=86089-17-0; added Common Chemistry CAS names as altLabel: Tridecanamine, branched and linear; object_uuid=fo-26a24c3dcf714951 |
fa334f3b… |
cas_match_labels |
— |
{"86089-17-0":"exactMatch"} |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'86089-17-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-26a24c3dcf714951: {'86089-17-0': 'exactMatch'} |
ff2c61d9… |
altLabel |
— |
[{"@value":"Tridecanamine, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:86089-17-0","https://commonchemistry.cas.org/detail?cas_rn=86089-17-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; cas=86089-17-0; added Common Chemistry CAS names as altLabel: Tridecanamine, branched and linear; object_uuid=fo-26a24c3dcf714951 |
ff2c61d9… |
cas_match_labels |
— |
{"86089-17-0":"exactMatch"} |
group_key=tridecylamine,branchedandlinear||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'86089-17-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-26a24c3dcf714951: {'86089-17-0': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-26a24c3dcf714951",
"prefLabel": [
{
"@value": "Tridecylamine, Branched And Linear",
"@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": "Tridecanamine, branched and linear",
"@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": [
"C13H29N",
"C9H16O2S"
],
"rdfs:label": "Molecular formula",
"provenance": {
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"prov:hadPrimarySource": [
"CID:40761",
"CID:3021096",
"CID:22833454"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
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},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"ABVVEAHYODGCLZ-UHFFFAOYSA-N",
"KFBNTNYCQVDLBK-UHFFFAOYSA-N",
"NWGMUEAVJOBSEB-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": {
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"prov:hadPrimarySource": [
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},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CC(C)SCCOC(=O)C(=C)C",
"CCCC(CC)CCCCCCCN",
"CCCCCCCCCCCCCN"
],
"rdfs:label": "SMILES",
"provenance": {
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"prov:wasDerivedFrom": "pubchem.props.SMILES"
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C13H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-14H2,1H3",
"InChI=1S/C13H29N/c1-3-10-13(4-2)11-8-6-5-7-9-12-14/h13H,3-12,14H2,1-2H3",
"InChI=1S/C9H16O2S/c1-7(2)9(10)11-5-6-12-8(3)4/h8H,1,5-6H2,2-4H3"
],
"rdfs:label": "InChI",
"provenance": {
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"CID:22833454"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"1-tridecanamine",
"2-isopropylsulfanylethyl 2-methylprop-2-enoate",
"2-methyl-2-propenoic acid 2-(propan-2-ylthio)ethyl ester",
"2-methylacrylic acid 2-(isopropylthio)ethyl ester",
"2-propan-2-ylsulfanylethyl 2-methylprop-2-enoate",
"8-ethyl-1-undecanamine",
"8-ethylundecan-1-amine",
"8-ethylundecylamine",
"tridecan-1-amine",
"tridecylamine"
],
"rdfs:label": "IUPAC name",
"provenance": {
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"prov:hadPrimarySource": [
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"CID:22833454"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
}
},
"references": [
{
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"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
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"prov:hadPrimarySource": [
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],
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},
{
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},
{
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