2-methyl-1-(4-methylthiophenyl)-2-morpholinopropan-1-one
fo-7ff1b8950a460278
Identity
- Type
- Neutral molecule
- CAS
- 71868-10-5
- EC
- 400-600-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
20- 1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-
- 2-Methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one
- 2-Methyl-1-(4-methylsulfanylphenyl)-2-morpholinopropan-1-one
- 2-Methyl-1-[4-(methylthio)benzene]-2-(4-morpholinyl)-1-propanone
- 2-Methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-1-propanone
- 2-Methyl-1-[4-(methylthio)phenyl]-2-morpholino-1-propanone
- 2-Methyl-1-[4-(methylthio)phenyl]-2-morpholinopropane-1-one
- 2-Methyl-1-[4-(methylthio)phenyl]-2-morpholinopropanone
- 2-Methyl-2-(4-morpholinyl)-1-[4-(methylthio)phenyl]-1-propanone
- 2-Methyl-4′-(methylthio)-2-morpholinopropiophenone
- 2-Methyl[4-(methylthio)phenyl]-2-morpholinopropan-1-one
- Genocure PMP
- IHT-PI 907
- Irgacure I 907
- JRCure 1107
- SB-PI 777
- UV Cure 907
- UV-Cure D 177
- α-Methyl-4-(methylmercapto)-mopholinopropiophenone
- α-Methyl-4-(methylmercapto)-α-morpholinopropiophenone
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | LWRBVKNFOYUCNP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C15H21NO2S/c1-15(2,16-8-10-18-11-9-16)14(17)12-4-6-13(19-3)7-5-12/h4-7H,8-11H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 2-methyl-1-(4-methylthiophenyl)-2-morpholinopropan-1-one |
| Molecular formula chemrof:molecular_formula | C15H21NO2S |
| Molecular mass chemrof:molecular_mass | 279.405 |
| Monoisotopic mass chemrof:monoisotopic_mass | 279.1293 |
| SMILES string chemrof:smiles_string | CSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1 |
Known URLs
10Where 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=71868-10-5 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.100.260 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.125.147 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8038857 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1411716 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/722CLJ6H6K | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0247316 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J73.113G | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/92387 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27266008 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f5f2fecd-04b1-43ad-ae03-516a857f34b4 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 40e43aed-efcb-4aa8-9941-9649846efbdf | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| f8cce475-62e7-4be6-83fc-85fcfaca6b22 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| b25a6a3e-3bfd-4f6f-835a-6e32934508aa | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 30e938a3-deee-411c-ba75-95a305f4356d | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| d0900059-ab46-4311-ac60-897d15e48103 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| e6ec84fa-4e8d-4e60-8fe7-c808738d58f0 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 26f96afb-3c2e-4ea9-b6fd-26b318bddb44 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 818ca3b1-352e-45d6-81ec-33b4cca130aa | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| caaa33c9-ff59-421a-9a59-8dd1cc810834 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| d5bcdbc8-7f7c-47d5-afd4-3748965739e8 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| f58ff4c4-25ca-424e-b7ad-aa6da9942668 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| bd6ff71c-ca61-45f9-b2e4-8f8f6e9eedec | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 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