-
Name
2-(1-benzothiophen-3-yl)-N,N-dimethylethanaminium chloride
- EINECS
- CAS No. 18648-22-1
- Density g/cm3
- Solubility
- Melting Point
- Formula C12H15NS•ClH
- Boiling Point 312.8°Cat760mmHg
- Molecular Weight 241.80
- Flash Point 143°C
- Transport Information
- Appearance
- Safety Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of Cl−, SOx, and NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
N,N-Dimethylbenzo(b)thiophene-3-ethylamine hydrochloride Chemical Properties
IUPAC Name: 2-(1-Benzothiophen-3-yl)ethyl-dimethylazanium chloride
Synonyms of N,N-Dimethylbenzo(b)thiophene-3-ethylamine hydrochloride (CAS NO.18648-22-1): N,N-Dimethyl-beta-3-aminoethylbenzothiophene hydrochloride ; Benzo(b)thiophene-3-ethylamine, N,N-dimethyl-, hydrochloride
InChI: InChI=1/C12H15NS.ClH/c1-13(2)8-7-10-9-14-12-6-4-3-5-11(10)12;/h3-6,9H,7-8H2,1-2H3;1H
InChIKey: IEADCIRKURNNHE-UHFFFAOYAR
Std. InChI: InChI=1S/C12H15NS.ClH/c1-13(2)8-7-10-9-14-12-6-4-3-5-11(10)12;/h3-6,9H,7-8H2,1-2H3;1H
Std. InChIKey: IEADCIRKURNNHE-UHFFFAOYSA-N
CAS NO: 18648-22-1
Molecular Formula: C12H16ClNS
Molecular Weight: 241.7801
Molecular Structure : .png)
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 28.24 Å2
Flash Point: 143 °C
Enthalpy of Vaporization: 55.38 kJ/mol
Boiling Point: 312.8 °C at 760 mmHg
Vapour Pressure: 0.000518 mmHg at 25°C
N,N-Dimethylbenzo(b)thiophene-3-ethylamine hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 150mg/kg (150mg/kg) | Journal of the Chemical Society, Section C: Organic. Vol. (12), Pg. 1612, 1969. | |
| mouse | LD50 | intravenous | 100mg/kg (100mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX01828, |
N,N-Dimethylbenzo(b)thiophene-3-ethylamine hydrochloride Safety Profile
Poison by intraperitoneal and intravenous routes. When N,N-Dimethylbenzo(b)thiophene-3-ethylamine hydrochloride (CAS NO.18648-22-1) is heated to decomposition, it emits very toxic fumes of Cl−, SOx, and NOx.
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