1-(2-Chloro-10H-phenothiazin-10-YL)-3-(dimethylamino)propan-2-OL
Basic information
- CAS
66559-51-1- Standard SMILES
CN(C)CC(O)CN1c2ccccc2Sc2ccc(Cl)cc21- InChIKey
AAOBFUBMMARQGD-UHFFFAOYSA-N- Molecular formula
- C17H19ClN2OS
- Average molar mass
- 334.9 g/mol
- Monoisotopic mass
- 334.0906621
Names & identifiers
- Preferred name
- 1-(2-Chloro-10H-phenothiazin-10-YL)-3-(dimethylamino)propan-2-OL
- IUPAC
- 1-(2-chlorophenothiazin-10-yl)-3-(dimethylamino)propan-2-ol
Names & synonyms
DTXSID00117495566559-51-12-Chloro-I+/--[(dimethylamino)methyl]-10H-phenothiazine-10-ethanol1-(2-CHLORO-10H-PHENOTHIAZIN-10-YL)-3-(DIMETHYLAMINO)PROPAN-2-OL
Database identifiers
- CAS
66559-51-1- PubChem CID
- 408670
- DTXSID
DTXSID001174955
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 371
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Compound notes
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