Ethanamine,2-[[(4-methylphenyl)methyl]thio]- supplier

Name
2-[(4-METHYLBENZYL)THIO]ETHANAMINE
EINECS
CAS No. 106670-34-2
Article Data3
CAS DataBase
Density 1.049 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₅NS
Boiling Point 289.7 °C at 760 mmHg
Molecular Weight 181.2978
Flash Point 129 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-[(4-Methylbenzyl)sulfanyl]ethanamine;
PSA 51.32000
LogP 2.88720

Ethanamine,2-[[(4-methylphenyl)methyl]thio]- Specification

The CAS registry number of Ethanamine,2-[[(4-methylphenyl)methyl]thio]- is 106670-34-2. This chemical's molecular formula is C₁₀H₁₅NS and molecular weight is 181.2978. What's more, its systematic name is 2-[(4-Methylbenzyl)sulfanyl]ethanamine.

Physical properties about this chemical are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 28.54 Å²; (7)Index of Refraction: 1.571; (8)Molar Refractivity: 56.79 cm³; (9)Molar Volume: 172.6 cm³; (10)Polarizability: 22.51×10^-24 cm³; (11)Surface Tension: 42.5 dyne/cm; (12)Density: 1.049 g/cm³; (13)Flash Point: 129 °C; (14)Enthalpy of Vaporization: 52.9 kJ/mol; (15)Boiling Point: 289.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00217 mmHg at 25 °C.

Preparation of Ethanamine,2-[[(4-methylphenyl)methyl]thio]-: this chemical is prepared by 2-Amino-ethanethiol; hydrochloride. This reaction needs reagent NaOEt and solvent ethanol by heating for 1.5 hours. The yield is 73 %. And the reaction equation is as followed:

Ethanamine,2-[[(4-methylphenyl)methyl]thio]- is prepared by 2-Amino-ethanethiol; hydrochloride

You can still convert the following datas into molecular structure:
(1) SMILES: S(CCN)Cc1ccc(cc1)C
(2) InChI: InChI=1/C10H15NS/c1-9-2-4-10(5-3-9)8-12-7-6-11/h2-5H,6-8,11H2,1H3
(3) InChIKey: LGOBOBXQLWNEPW-UHFFFAOYAY

Product Name

2-[(4-METHYLBENZYL)THIO]ETHANAMINE

Ethanamine,2-[[(4-methylphenyl)methyl]thio]- Specification

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