Dibenzylamine
fo-cfab94050c2d92b2
Identity
- Type
- Neutral molecule
- CAS
- 103-49-1
- EC
- 203-117-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
8- (N-Benzylaminomethyl)benzene
- Benzenemethanamine, N-(phenylmethyl)-
- Bibenzylamine
- Bisbenzylamine
- N,N-Dibenzylamine
- N-(Phenylmethyl)benzenemethanamine
- N-benzyl-1-phenylmethanamine
- N-Benzylbenzylamine
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | BWLUMTFWVZZZND-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2 |
| IUPAC name chemrof:IUPAC_name | Dibenzylamine |
| Molecular formula chemrof:molecular_formula | C14H15N |
| Molecular mass chemrof:molecular_mass | 197.281 |
| Monoisotopic mass chemrof:monoisotopic_mass | 197.120449, 197.12045 |
| SMILES string chemrof:smiles_string | c1ccc(CNCc2ccccc2)cc1 |
Known URLs
14Where 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=103-49-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:189125 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.834 | enrich_references.pubchem_identifier_url |
| ChemSpider | https://www.chemspider.com/Chemical-Structure.7373.html | enrich_references.chebi_xrefs |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6044355 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4811 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182419 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3G0YFX01C6 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0251169 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J37.741D | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/D77870 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7656 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27257174 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Dibenzylamine | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e96aa02f-9335-4e6e-8645-c7f7c9ba7d24 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 283acbf4-59d3-42e0-98d9-ee6df8e09c27 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 6963ca88-6e2e-42b6-9d18-70fc74c0ac81 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| c1891d40-4b2b-4d12-a4f8-5c0c9805c3e8 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4c7163ac-75dc-44a2-a8d1-e88c8db99ffd | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| d523571f-5543-4660-9e8f-123efa2887ba | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| be74a7b4-62bb-4377-a98a-3c3488d2836e | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| daa83219-9d02-4e51-9443-eaca5db2e5c5 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| ee0b1930-bd91-44cc-81a4-c80988f6b0d0 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| ff7f7247-f16b-47eb-b9d5-cba9863982f2 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 3fdd5d4d-0e72-4a81-9520-a9f2fdfdec9a | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 0e7aa97c-8525-43b7-a9c7-3cbf349bbbf5 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 2f85d244-4d74-4a65-91b6-c7c942c99d63 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"103-49-1"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=103-49-1"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=103-49-1"
}
],
"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": [
"203-117-7"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=203-117-7"
],
"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