Diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium;chloride
Basic information
- CAS
136825-96-2- Standard SMILES
CCNc1cc2sc3cc(=[N+](CC)CC)ccc-3nc2c2ccccc12.[Cl-]- InChIKey
QYNCZLPRFXWLEN-UHFFFAOYSA-N- Molecular formula
- C22H24ClN3S
- Average molar mass
- 398 g/mol
- Monoisotopic mass
- 397.1379466
Names & identifiers
- Preferred name
- Diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium;chloride
- IUPAC
- diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium chloride
- English name
- 5-ethylamino-9-diethylaminobenzo(a)phenothiazinium
- Molecular formula
- C22H24ClN3S
- Molecular weight
- 397.97
Names & synonyms
136825-96-2diethyl-[5-(ethylamino)benzo[a]phenothiazin-9-ylidene]azanium;chlorideEtNBSSCHEMBL30752351DTXSID8013655045-N,9-N,9-N-triethyl-12H-benzo[a]phenothiazin-12-ium-5,9-diamine5-Ethylamino-9-diethylaminobenzo(a)phenothiazinium5-Ethylamino-9-diethylaminobenzo(a)phenothiazinium chloride9-(Diethylamino)-5-(ethylamino)benzo(a)phenothiazin-7-ium chlorideBenzo(a)phenothiazin-7-ium, 9-(diethylamino)-5-(ethylamino)-, chloride
Database identifiers
- CAS
136825-96-2- PubChem CID
- 131995
- DTXSID
DTXSID801365504
Properties
Computed structural properties
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 654
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Compound notes
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