(S)-(1-(2,4,6-Trimethylphenyl)ethyl)amine supplier

Name
Benzenemethanamine, α,2,4,6-tetramethyl-, (αS)-
EINECS
CAS No. 20050-17-3
Article Data1
CAS DataBase
Density 0.93 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₇N
Boiling Point 254.2 °C at 760 mmHg
Molecular Weight 163.263
Flash Point 105.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzylamine,a,2,4,6-tetramethyl-, (S)-(-)-(8CI);(S)-(1-(2,4,6-Trimethylphenyl)ethyl)amine;
PSA 26.02000
LogP 3.33180

(S)-(1-(2,4,6-Trimethylphenyl)ethyl)amine Specification

The systematic name of (S)-(1-(2,4,6-Trimethylphenyl)ethyl)amine is 1-(2,4,6-trimethylphenyl)ethanamine. With the CAS registry number 20050-17-3, it is also named as Benzenemethanamine, α,2,4,6-tetramethyl-, (αS)-. In addition, its molecular formula is C₁₁H₁₇N and molecular weight is 163.26.

The other characteristics of (S)-(1-(2,4,6-Trimethylphenyl)ethyl)amine can be summarized as: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 3.24 Å²; (7)Index of Refraction: 1.525; (8)Molar Refractivity: 53.81 cm³; (9)Molar Volume: 175.5 cm³; (10)Polarizability: 21.33×10^-24cm³; (11)Surface Tension: 34.2 dyne/cm; (12)Density: 0.93 g/cm³; (13)Flash Point: 105.6 °C; (14)Enthalpy of Vaporization: 49.16 kJ/mol; (15)Boiling Point: 254.2 °C at 760 mmHg; (16)Vapour Pressure: 0.0175 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: NC(c1c(cc(cc1C)C)C)C
(2)InChI: InChI=1/C11H17N/c1-7-5-8(2)11(10(4)12)9(3)6-7/h5-6,10H,12H2,1-4H3
(3)InChIKey: LVIICDKJNNIEQG-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C11H17N/c1-7-5-8(2)11(10(4)12)9(3)6-7/h5-6,10H,12H2,1-4H3
(5)Std. InChIKey: LVIICDKJNNIEQG-UHFFFAOYSA-N

Product Name

Benzenemethanamine, α,2,4,6-tetramethyl-, (αS)-

(S)-(1-(2,4,6-Trimethylphenyl)ethyl)amine Specification

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