N,n-dibutyldodecanamide
fo-a2a495632a6f5acd
Identity
- Type
- Neutral molecule
- CAS
- 5343-44-2
- EC
- 438-530-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
2- Dodecanamide, N,N-dibutyl-
- N,N-Dibutyllauramide
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | MFARGUPPFBTESX-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C20H41NO/c1-4-7-10-11-12-13-14-15-16-17-20(22)21(18-8-5-2)19-9-6-3/h4-19H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | N,N-Dibutyllauramide |
| Molecular formula chemrof:molecular_formula | C20H41NO |
| Molecular mass chemrof:molecular_mass | 311.554 |
| Monoisotopic mass chemrof:monoisotopic_mass | 311.318815 |
| SMILES string chemrof:smiles_string | CCCCCCCCCCCC(=O)N(CCCC)CCCC |
Known URLs
8Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=5343-44-2 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.103.538 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID80968098 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=457 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6356 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.040.849K | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/219313 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q82950793 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| bfdabc78-3933-4b4f-94c4-c4b9036f3d94 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| d4366111-89b8-4db6-9b16-8894909c057c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 43243b50-487c-4d78-9eb6-69dfdf856814 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 50442a27-3b3e-43ae-885d-1698b99755fe | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 8c3ee3e8-92db-4fcc-8a43-db98fb34ad7d | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 37316359-49fe-4954-bc84-dc6e5865637c | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| d9ed4a2b-c236-49c0-a629-c86edec5be45 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 2b7cb06a-b569-430a-964f-40bb2e1ce200 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 04e073cb-bd11-478d-83cf-245f57746980 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 5064dc5f-b28f-4018-a770-9849486e857a | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 004f7d38-2aea-4553-bc7f-d1b5c44b56c8 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| d2ef18d3-fb81-4230-aee8-aca047d7c454 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| cdd3e8f7-27ca-41b9-8e1b-26506c3f92e6 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-a2a495632a6f5acd",
"prefLabel": [
{
"@value": "N,n-dibutyldodecanamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "Dodecanamide, N,N-dibutyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:5343-44-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=5343-44-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N-Dibutyllauramide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:5343-44-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=5343-44-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C20H41NO"
],
"attested_by": {
"C20H41NO": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:219313"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCC(=O)N(CCCC)CCCC"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"MFARGUPPFBTESX-UHFFFAOYSA-N"
],
"attested_by": {
"MFARGUPPFBTESX-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:219313"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCC(=O)N(CCCC)CCCC"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCCCCCCCCCCC(=O)N(CCCC)CCCC"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N,N-Dibutyllauramide"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCC(=O)N(CCCC)CCCC"
]
}
],
"attested_by": {
"CCCCCCCCCCCC(=O)N(CCCC)CCCC": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C20H41NO/c1-4-7-10-11-12-13-14-15-16-17-20(22)21(18-8-5-2)19-9-6-3/h4-19H2,1-3H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N,N-Dibutyllauramide"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCC(=O)N(CCCC)CCCC"
]
}
],
"attested_by": {
"InChI=1S/C20H41NO/c1-4-7-10-11-12-13-14-15-16-17-20(22)21(18-8-5-2)19-9-6-3/h4-19H2,1-3H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"N,N-Dibutyllauramide"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N,N-Dibutyllauramide"
]
},
"attested_by": {
"N,N-Dibutyllauramide": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
311.554
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCC(=O)N(CCCC)CCCC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCC(=O)N(CCCC)CCCC"
]
}
],
"attested_by": {
"311.554": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
311.318815
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCC(=O)N(CCCC)CCCC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCC(=O)N(CCCC)CCCC"
]
}
],
"attested_by": {
"311.318815": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.040.849K",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:219313;CAS:5343-44-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[5343-44-2]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.103.538",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:219313;CAS:5343-44-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[5343-44-2]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=5343-44-2",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:219313;CAS:5343-44-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[5343-44-2]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID80968098",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:219313;CAS:5343-44-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[5343-44-2]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=457",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:219313;CAS:5343-44-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[5343-44-2]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6356",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:219313;CAS:5343-44-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[5343-44-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/219313",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:219313;CAS:5343-44-2"
],
"prov:wasDerivedFrom": "pubchem.by_cas[5343-44-2]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q82950793",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:219313;CAS:5343-44-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[5343-44-2]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "004f7d38-2aea-4553-bc7f-d1b5c44b56c8",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"5343-44-2"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=5343-44-2"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=5343-44-2"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"438-530-3"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=438-530-3"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works