Thenyldiamine
fo-0897f285b49dcbe2
Identity
- Type
- Neutral molecule
- CAS
- 91-79-2
- EC
- 202-098-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
15- 1,2-Ethanediamine N1,N1-dimethyl-N2-2-pyridinyl-N2-(3-thienylmethyl)-
- 1,2-Ethanediamine, N,N-dimethyl-N′-2-pyridinyl-N′-(3-thienylmethyl)-
- 1,2-Ethanediamine, N1,N1-dimethyl-N2-2-pyridinyl-N2-(3-thienylmethyl)-
- 2-[(2-Dimethylaminoethyl)-3-thenylamino]pyridine
- Dethylandiamine
- N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
- N,N-Dimethyl-N′-(2-pyridyl)-N′-(3-thenyl)ethylenediamine
- N-(2-Dimethylaminoethyl)-N-2-pyridyl-3-thenylamine
- N-(α-Pyridyl)-N-(β-thenyl)-N′,N′-dimethylethylenediamine
- N1,N1-Dimethyl-N2-2-pyridinyl-N2-(3-thienylmethyl)-1,2-ethanediamine
- Pyridine, 2-[[2-(dimethylamino)ethyl]-3-thenylamino]-
- Tenfidil
- Thefanil
- Thenfadil
- Thenyldiamine (pharmaceutical)
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | RCGYDFVCAAKKNG-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C14H19N3S/c1-16(2)8-9-17(11-13-6-10-18-12-13)14-5-3-4-7-15-14/h3-7,10,12H,8-9,11H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine |
| Molecular formula chemrof:molecular_formula | C14H19N3S |
| Molecular mass chemrof:molecular_mass | 261.394 |
| Monoisotopic mass chemrof:monoisotopic_mass | 261.129969, 261.12997 |
| SMILES string chemrof:smiles_string | CN(C)CCN(Cc1ccsc1)c1ccccn1 |
Known URLs
15Where 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=91-79-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:186232 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.908 | enrich_references.pubchem_identifier_url |
| ChemSpider | https://www.chemspider.com/Chemical-Structure.6799.html | enrich_references.chebi_xrefs |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0021335 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB16022 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB16022 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2107485 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E4U52363JE | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0240241 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.347H | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C84200 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7066 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q7781412 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Thenyldiamine | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 5ed7767e-2d25-467a-9d32-5d5eaada347a | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| 36106307-9584-443f-be8a-e26385331051 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| e498d0a0-5121-4ad1-8a72-96deeaf4747e | Environmental → Air → Indoor | EF 3.1 | kg | 0 |
| 58d90e7d-33d9-482d-afd3-80075c86b393 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| f767664e-e798-4465-8e34-c8576c3bc1b0 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| 2c1b01d7-c312-4a6c-a62e-b7a6e1f05a23 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| c2791cec-b8ab-4feb-a7e9-0831132cd8ea | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 1b9c08be-8c80-4efc-b356-0def24526c9e | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| f569cce0-284b-4520-968d-7cb95cb29a4f | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| d7b3ac5e-4436-4bcf-b8f5-7b9ae1e80f88 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 1ea9aab3-eb41-4001-913c-d5d286601ce2 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 9c39444b-25b2-4605-adb0-43ed7f521efc | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 8212ded8-dfe2-40b5-b3ae-4bfe1f50107f | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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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