10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, conjugate acid (1:1)
Basic information
- CAS
67635-59-0- Standard SMILES
C[NH+](C)CCCN1c2ccccc2Sc2ccc(Cl)cc21- InChIKey
ZPEIMTDSQAKGNT-UHFFFAOYSA-O- Molecular formula
- C17H20ClN2S+
- Average molar mass
- 319.9 g/mol
- Monoisotopic mass
- 319.1035725
Names & identifiers
- Preferred name
- 10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, conjugate acid (1:1)
- IUPAC
- 3-(2-chlorophenothiazin-10-yl)propyl-dimethylazanium
Names & synonyms
RefChem:105729867635-59-010H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, conjugate acid (1:1)3lk03-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminiumSTK367983AKOS005445127
Database identifiers
- CAS
67635-59-0- PubChem CID
- 638552
- Nikkaji
- J3.496.811J
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 1
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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