Basic information
- Name:
1H-Indole-3-ethanamine,5-chloro-, hydrochloride (1:1)
- Superlist Name:
- 2-(5-Chloro-1H-indol-3-yl)ethanamine hydrochloride
- CAS No.:
942-26-7
- Molecular Structure:
- Formula:
- C10H12Cl2N2
- Molecular Weight:
- 231.12
- Synonyms:
- 1H-Indole-3-ethanamine,5-chloro-, monohydrochloride (9CI);Indole, 3-(2-aminoethyl)-5-chloro-, hydrochloride(6CI,7CI,8CI);5-Chlorotryptamine hydrochloride;1H-Indole-3-ethanamine, 5-chloro-, hydrochloride (1:1);2-(5-Chloro-1H-indol-3-yl)ethanamine hydrochloride (1:1);5-Chloro-1H-indole-3-ethylamine hydrochloride;5-Chloro-1H-indole-3-ethylamine monohydrochloride;
- EINECS:
- 213-387-8
- Melting Point:
- 290°C (dec.)
- Boiling Point:
- 375.7 °C at 760 mmHg
- Flash Point:
- 181 °C
- Risk Codes:
- 22-36/37/38
- Safety Description:
- 26-36/37/39 Details
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Specification
The 1H-Indole-3-ethanamine,5-chloro-, hydrochloride (1:1), with the CAS registry number 942-26-7 and EINECS registry number 213-387-8, has the systematic name of 2-(5-chloro-1H-indol-3-yl)ethanamine hydrochloride. And the molecular formula of this chemical is C10H12Cl2N2. It belongs to the following product categories: Pharmaceutical Raw Materials; Indole/indoline/oxindole; Indole and Indoline; Indoles; Tryptamines.
The physical properties of 1H-Indole-3-ethanamine,5-chloro-, hydrochloride (1:1) are as following: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 8.17 Å2; (7)Flash Point: 181 °C; (8)Enthalpy of Vaporization: 62.33 kJ/mol; (9)Boiling Point: 375.7 °C at 760 mmHg; (10)Vapour Pressure: 7.61E-06 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Clc1cc2c(cc1)ncc2CCN
(2)InChI: InChI=1/C10H11ClN2.ClH/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10;/h1-2,5-6,13H,3-4,12H2;1H
(3)InChIKey: PBANXRNIXGEHPZ-UHFFFAOYAB
