(3-(4-Chloro-10H-phenothiazin-10-yl)propyl)dimethylamine
Basic information
- CAS
13094-24-1- Standard SMILES
CN(C)CCCN1c2ccccc2Sc2c(Cl)cccc21- InChIKey
QTSPTUFOFSQPBD-UHFFFAOYSA-N- Molecular formula
- C17H19ClN2S
- Average molar mass
- 318.9 g/mol
- Monoisotopic mass
- 318.0957475
Names & identifiers
- Preferred name
- (3-(4-Chloro-10H-phenothiazin-10-yl)propyl)dimethylamine
- IUPAC
- 3-(4-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
- English name
- Chlorpromazine EP impurity F
- Molecular formula
- C17H19ClN2S
- Molecular weight
- 318.87
Names & synonyms
13094-24-1[3-(4-Chloro-10H-phenothiazin-10-yl)propyl]dimethylamine(3-(4-Chloro-10H-phenothiazin-10-yl)propyl)dimethylamineRefChem:399573112-158-9Chlorpromazine EP Impurity F3-(4-CHLORO-10H-PHENOTHIAZIN-10-YL)-N,N-DIMETHYLPROPAN-1-AMINE5S6MPF62YZCHEMBL38435Chlorpromazine impurity F CRSCHLORPROMAZINE HYDROCHLORIDE IMPURITY F [EP IMPURITY]RS RMA063C006
Show more names
Chlorpromazine Impurity 910H-Phenothiazine-10-propanamine, 4-chloro-N,N-dimethyl-
Database identifiers
- CAS
13094-24-1- PubChem CID
- 44285992
- ChEMBL
CHEMBL38435- UNII
- 5S6MPF62YZ
- EC Number
- 112-158-9
- Nikkaji
- J336.520D
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 31.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Boiling point
- 440.878 · 440.878±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.1644 · 1.1644 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 9.408 · 9.408±0.28(predicted)
- Water Solubility
- 3.508 mg/L · 3.508mg/L(temperature not stated)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Compound notes
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