Basic information
- CAS
13012-66-3- Standard SMILES
CCN(CC)CCC(=O)N1c2ccccc2Sc2ccccc21- InChIKey
VKRMTQPPGJINJJ-UHFFFAOYSA-N- Molecular formula
- C19H22N2OS
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.1452845
Names & identifiers
- Preferred name
- Phenothiazine, 10-N,N-diethylalanyl-
- IUPAC
- 3-(diethylamino)-1-phenothiazin-10-ylpropan-1-one
- English name
- 10-[3-(N,N-Diethylamino)propionyl]-10H-phenothiazine
- Molecular weight
- 0
Names & synonyms
13012-66-3Phenothiazine, 10-N,N-diethylalanyl-RefChem:109497710-(beta-Diethylaminopropionyl)phenothiazine3-(diethylamino)-1-phenothiazin-10-ylpropan-1-oneUSAF XR-73576-47-410-N,N-DiethylalanylphenothiazinePhenothiazine, 10-(beta-diethylaminopropionyl)-BRN 00354963-(DIETHYLAMINO)-1-(10H-PHENOTHIAZIN-10-YL)PROPAN-1-ONESCHEMBL6313879
Show more names
10-[3-(N,N-Diethylamino)propionyl]-10H-phenothiazine
10H-Phenothiazine, 10-(2-(diethylamino)-1-oxopropyl)-DTXSID7092660710-(.beta.-Diethylaminopropionyl)phenothiazine4-27-00-01276 (Beilstein Handbook Reference)Phenothiazine, 10-(.beta.-diethylaminopropionyl)-10-(A-DIETHYLAMINOPROPIONYL)-PHENOTHIAZI NE HYDROCHLORIDE (AS-139)
Database identifiers
- CAS
13012-66-3、3576-47-4- PubChem CID
- 83045
- DTXSID
DTXSID70926607- Nikkaji
- J50.186G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers2 total
SIGMA—
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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