3-Thiopheneethanamine,N-[(2-chlorophenyl)methyl]- supplier

Name
N-(2-CHLOROBENZYL)-2-(2-THIENYL)ETHYLAMINE HYDROCHLORIDE
EINECS 273-851-0
CAS No. 69061-17-2
Article Data7
CAS DataBase
Density 1.201 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₄ClNS
Boiling Point 362.9 °C at 760 mmHg
Molecular Weight 251.78
Flash Point 173.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 40.27000
LogP 4.92670

3-Thiopheneethanamine,N-[(2-chlorophenyl)methyl]- 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

Product Name

N-(2-CHLOROBENZYL)-2-(2-THIENYL)ETHYLAMINE HYDROCHLORIDE

3-Thiopheneethanamine,N-[(2-chlorophenyl)methyl]- Specification

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