N-Ethylphenothiazine

HCID 219178CAS 1637-16-7

Substructure search Find similar structures

Basic information

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 Å²
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

GHS classification

GHS Classification · 4 items

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.