Methaphenilene
fo-9887ce96b2ea10c1
Identity
- Type
- Neutral molecule
- CAS
- 493-78-7
- EC
- 207-780-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
12- 1,2-Ethanediamine N1,N1-dimethyl-N2-phenyl-N2-(2-thienylmethyl)-
- 1,2-Ethanediamine, N,N-dimethyl-N′-phenyl-N′-(2-thienylmethyl)-
- 1,2-Ethanediamine, N1,N1-dimethyl-N2-phenyl-N2-(2-thienylmethyl)-
- Diatrin base
- Ethylenediamine, N,N-dimethyl-N′-phenyl-N′-2-thenyl-
- methafenilene
- methaphenilen
- methaphenilene HCl
- methaphenilene hydrochloride
- N,N-Dimethyl-N′-phenyl-N′-2-thenylethylenediamine
- N1,N1-Dimethyl-N2-phenyl-N2-(2-thienylmethyl)-1,2-ethanediamine
- W 50 Base
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | LDYJXVUOVPVZKA-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C15H20N2S/c1-16(2)10-11-17(13-15-9-6-12-18-15)14-7-4-3-5-8-14/h3-9,12H,10-11,13H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 1,2-Ethanediamine, N,N-dimethyl-N′-phenyl-N′-(2-thienylmethyl)- |
| Molecular formula chemrof:molecular_formula | C15H20N2S |
| Molecular mass chemrof:molecular_mass | 260.406 |
| Monoisotopic mass chemrof:monoisotopic_mass | 260.13472 |
| SMILES string chemrof:smiles_string | CN(C)CCN(Cc1cccs1)c1ccccc1 |
Known URLs
17Where 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=493-78-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:6819 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.007.074 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5020817 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB21086 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:1737 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/1737 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2111026 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q1MP2MRW1E | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.072K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C11113 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C11113 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67596 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C83952 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/10306 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q18390575 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Methaphenilene | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f4a133c3-da19-441c-9f39-470f62963ea5 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| 66f36f7b-580e-40b4-ade9-7f0186019df3 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| 5b9c59e6-3048-4c6d-be05-fa602de5e2d3 | Environmental → Air → Indoor | EF 3.1 | kg | 0 |
| eea27165-9243-4761-8ae0-e64decf75600 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| a100fc35-65ca-481a-b4c3-1f698e2a92da | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| 20895e8c-436c-4600-97d7-19f56d5cd557 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| fa4fb863-30ca-4432-ac70-aec06ad8398d | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 1f504edb-95a0-40f0-ba58-7ecb63bdbabc | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 962b9a44-af17-4e38-b012-2aac653f021d | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| 51d11b0d-a604-4457-860a-a00d678bef53 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 938b83fd-5af6-4d86-9a35-4bf68a6a34aa | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 8165dcdc-c41d-46e4-8d01-5cac38b0f506 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 37ed160c-d14b-4d7e-8633-3f6e32dd68a1 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (55 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