CAS No.3764-94-1,5-CHLOROTRYPTAMINE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3764-94-1
Name:	5-CHLOROTRYPTAMINE HYDROCHLORIDE
Article Data:	22

Formula:	C₁₀H₁₁ClN₂
Molecular Weight:	194.664
Synonyms:	Indole,3-(2-aminoethyl)-5-chloro- (6CI,7CI,8CI);2-(5-Chloro-1H-indol-3-yl)ethanamine;2-(5-Chloro-1H-indol-3-yl)ethylamine;5-Chloro-1H-indole-3-ethanamine;5-Chlorotryptamine;
EINECS:	223-184-6
Density:	1.294 g/cm³
Melting Point:	120℃
Boiling Point:	375.7 °C at 760 mmHg
Flash Point:	181 °C
PSA:	41.81000
LogP:	3.82480

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Specification

The 2-(5-Chloro-1H-indol-3-yl)ethanamine hydrochloride, with the CAS registry number 3764-94-1, has the systematic name and IUPAC name of 2-(5-chloro-1H-indol-3-yl)ethanamine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₁₁ClN₂.

The characteristics of 2-(5-Chloro-1H-indol-3-yl)ethanamine hydrochloride are as followings: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.91; (4)ACD/LogD (pH 7.4): -0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.33; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 8.17 Å²; (13)Index of Refraction: 1.675; (14)Molar Refractivity: 56.5 cm³; (15)Molar Volume: 150.3 cm³; (16)Polarizability: 22.4×10^-24cm³; (17)Surface Tension: 56.5 dyne/cm; (18)Density: 1.294 g/cm³; (19)Flash Point: 181 °C; (20)Enthalpy of Vaporization: 62.33 kJ/mol; (21)Boiling Point: 375.7 °C at 760 mmHg; (22)Vapour Pressure: 7.61E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc2c(cc1)ncc2CCN
(2)InChI: InChI=1/C10H11ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
(3)InChIKey: FVQKQPVVCKOWLM-UHFFFAOYAP