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69061-17-2

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Basic Information
CAS No.: 69061-17-2
Name: N-(2-CHLOROBENZYL)-2-(2-THIENYL)ETHYLAMINE HYDROCHLORIDE
Article Data: 7
Molecular Structure:
Molecular Structure of 69061-17-2 (N-(2-CHLOROBENZYL)-2-(2-THIENYL)ETHYLAMINE HYDROCHLORIDE)
Formula: C13H14ClNS
Molecular Weight: 251.78
Synonyms: N-(2-Chlorobenzyl)-2-(3-thienyl)ethanamine;N-(2-Chlorobenzyl)-2-(3-thienyl)ethylamine;N-[(2-Chlorophenyl)methyl]-3-thiopheneethylamine;N-((2-Chlorophenyl)methyl)thiophene-3-ethylamine;
EINECS: 273-851-0
Density: 1.201 g/cm3
Boiling Point: 362.9 °C at 760 mmHg
Flash Point: 173.3 °C
PSA: 40.27000
LogP: 4.92670
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Specification

The 3-Thiopheneethanamine,N-[(2-chlorophenyl)methyl]-, with the CAS registry number 69061-17-2, is also known as N-((2-Chlorophenyl)methyl)thiophene-3-ethylamine. Its EINECS number is 273-851-0. This chemical's molecular formula is C13H14ClNS and formula weight is 251.78. What's more, its IUPAC name is N-(2-chlorobenzyl)-2-(thiophen-3-yl)ethanamine. 

Physical properties of 3-Thiopheneethanamine,N-[(2-chlorophenyl)methyl]- are: (1)ACD/LogP: 4.05; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 40.27 Å2; (7)Index of Refraction: 1.601; (8)Molar Refractivity: 71.797 cm3; (9)Molar Volume: 209.705 cm3; (10)Surface Tension: 44.883 dyne/cm; (11)Density: 1.201 g/cm3; (12)Flash Point: 173.284 °C; (13)Enthalpy of Vaporization: 60.891 kJ/mol; (14)Boiling Point: 362.913 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1CNCCc2ccsc2
(2)InChI: InChI=1S/C13H14ClNS/c14-13-4-2-1-3-12(13)9-15-7-5-11-6-8-16-10-11/h1-4,6,8,10,15H,5,7,9H2
(3)InChIKey: KSLGAQJHWKENBJ-UHFFFAOYSA-N