N-Allylphenothiazine
Basic information
- CAS
20962-92-9- Standard SMILES
C=CCN1c2ccccc2Sc2ccccc21- InChIKey
GFVSLJXVNAYUJE-UHFFFAOYSA-N- Molecular formula
- C15H13NS
- Average molar mass
- 239.3 g/mol
- Monoisotopic mass
- 239.07687059
Names & identifiers
- Preferred name
- N-Allylphenothiazine
- IUPAC
- 10-prop-2-enylphenothiazine
- English name
- 10-(2-Propen-1-yl)-10H-phenothiazine
- Molecular formula
- C15H13NS
- Molecular weight
- 239.34
Names & synonyms
N-Allylphenothiazine20962-92-9DTXSID30470510RefChem:363182DTXCID1042132810-Allyl-10H-phenothiazine10-prop-2-enylphenothiazine10-allylphenothiazinePromethazine Impurity 2510-(2-Propen-1-yl)-10H-phenothiazine10-(PROP-2-EN-1-YL)-10H-PHENOTHIAZINE10-Allyl-10H-phenothiazine; 10-(2-Propen-1-yl)-10H-phenothiazine
Show more names
Promethazine Impurity 7
10H-Phenothiazine, 10-(2-propenyl)-starbld0047621SCHEMBL39172SCHEMBL29376932AKOS030254786DB-26607210H-Phenothiazine, 10-(2-propen-1-yl)-G67602
Database identifiers
- CAS
20962-92-9- PubChem CID
- 11680298
- DTXSID
DTXSID30470510- Nikkaji
- J761.479I
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 369.7 · 369.7±22.0 °C(Predicted)
- Density
- 1.163 · 1.163±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 0.1 · 0.10±0.20(Predicted)
- color
- Clear Light Yellow
Chemistry & industry
Applications
UsesPhenothiazine (P318040) derivative.
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Compound notes
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