Basic information
- CAS
4335-05-1- Standard SMILES
CN(C)CC(C)(C)CN1c2ccccc2Sc2ccccc21- InChIKey
KYNBTEGMZBRGSV-UHFFFAOYSA-N- Molecular formula
- C19H24N2S
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 312.16601995
Names & identifiers
- Preferred name
- Phenothiazine, 10-(2,2-dimethyl-3-dimethylaminopropyl)-
- IUPAC
- N,N,2,2-tetramethyl-3-phenothiazin-10-ylpropan-1-amine
- English name
- N,N,β,β-Tetramethyl-10H-phenothiazine-10-propan-1-amine
- Molecular formula
- C19H24N2S
- Molecular weight
- 312.48
Names & synonyms
3360 RPPhenothiazine, 10-(2,2-dimethyl-3-dimethylaminopropyl)-4335-05-1BRN 024644610-(2,2-Dimethyl-3-dimethylaminopropyl)phenothiazineDTXSID4019582810H-Phenothiazine-10-propanamine, N,N,beta,beta-tetramethyl-4-27-00-01271 (Beilstein Handbook Reference)RefChem:369474DTXCID8011831910H-Phenothiazine-10-propanamine, N,N,beta,beta-tetramethyl-(9CI)NSC169466
Show more names
10H-Phenothiazine-10-propanamine, N,N,β,β-tetramethyl-N,N,β,β-Tetramethyl-10H-phenothiazine-10-propan-1-amine
NSC-169466NCIStruc1_001383NCIStruc2_001581CHEMBL1370526N,N,beta,beta-Tetramethyl-10H-phenothiazine-10-propan-1-amineCCG-37122NCGC00014484NCI169466
Database identifiers
- CAS
4335-05-1- PubChem CID
- 78038
- DTXSID
DTXSID40195828- ChEMBL
CHEMBL1370526- Nikkaji
- J53.765I
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 31.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Boiling point
- 196 · 196-199 °C(Press: 3 Torr)
- Density
- 1.1 · 1.100±0.06 g/cm3(Predicted)
- pka
- 9.47 · 9.47±0.28(Predicted)
- Toxicity
- 50 intravenous · LD50 intravenous in mouse: 100mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intravenous in mouse: 100mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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