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214759-44-1

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Basic Information
CAS No.: 214759-44-1
Name: 1-(5-CHLOROTHIEN-2-YL)ETHANAMINE
Molecular Structure:
Molecular Structure of 214759-44-1 (1-(5-CHLOROTHIEN-2-YL)ETHANAMINE)
Formula: C6H8ClNS
Molecular Weight: 161.65
Synonyms: 1-(5-Chloro-2-thienyl)ethylamine;2-Thiophenemethanamine, 5-chloro-α-methyl-;
Density: 1.261 g/cm3
Boiling Point: 218.3 °C at 760 mmHg
Flash Point: 85.8 °C
Hazard Symbols: IrritantXi
PSA: 54.26000
LogP: 3.12150
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Specification

This product is an organic compound with the formula C6H8ClNS. The systematic name of this chemical is 1-(5-Chlorothiophen-2-yl)ethanamine. With the CAS registry number 214759-44-1, it is also named as 1-(5-Chloro-2-thienyl)ethylamine. In addition, the molecular weight is 161.65. 

Physical properties of 1-(5-Chlorothiophen-2-yl)ethanamine are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.28; (4)ACD/LogD (pH 7.4): -0.23; (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): 2.21; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.48 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 42.61 cm3; (15)Molar Volume: 128.1 cm3; (16)Polarizability: 16.89×10-24cm3; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.261 g/cm3; (19)Flash Point: 85.8 °C; (20)Enthalpy of Vaporization: 45.47 kJ/mol; (21)Boiling Point: 218.3 °C at 760 mmHg; (22)Vapour Pressure: 0.127 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1sc(cc1)C(N)C
(2)InChI: InChI=1S/C6H8ClNS/c1-4(8)5-2-3-6(7)9-5/h2-4H,8H2,1H3
(3)InChIKey: POVBCAPIAGIBEW-UHFFFAOYSA-N