N-Ethylphenothiazine
Basic information
- CAS
1637-16-7- Standard SMILES
CCN1c2ccccc2Sc2ccccc21- InChIKey
IQZBMUCMEBSKSS-UHFFFAOYSA-N- Molecular formula
- C14H13NS
- Average molar mass
- 227.33 g/mol
- Monoisotopic mass
- 227.07687042
Names & identifiers
- Preferred name
- N-Ethylphenothiazine
- IUPAC
- 10-ethylphenothiazine
- English name
- 10-ethyl-10H-phenothiazine
- Molecular formula
- C14H13NS
- Molecular weight
- 227.32
Names & synonyms
N-EthylphenothiazineRefChem:830012621-997-410-Ethylphenothiazine10-Ethyl-10H-phenothiazine1637-16-710H-Phenothiazine, 10-ethyl-Phenothiazine, 10-ethyl-NSC12110- EthylphenothiazineSCHEMBL293951SCHEMBL1581708
Show more names
Phenothiazine Impurity 9
SCHEMBL158171010-Ethyl-10H-phenothiazine #SCHEMBL10336381SCHEMBL29557425DTXSID40276964NSC-121AKOS004907106CS-0093988
Database identifiers
- CAS
1637-16-7- PubChem CID
- 219178
- DTXSID
DTXSID40276964- EC Number
- 621-997-4
- Nikkaji
- J145.604K
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 102.5 · 102.5-103.0 °C
- Boiling point
- 355.2 · 355.2±12.0 °C(Predicted)
- Density
- 1.17 · 1.170±0.06 g/cm3(Predicted)
- pka
- 0.83 · 0.83±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H411
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H411
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
15 records
Compound notes
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