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| CAS No.: | 75703-26-3 |
|---|---|
| Name: | 2,2,2-TRIFLUORO-1-P-TOLYL-ETHYLAMINE |
| Molecular Structure: | |
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| Formula: | C9H10F3N |
| Molecular Weight: | 189.18 |
| Synonyms: | 2,2,2-Trifluoro-1-(p-tolyl)ethylamine; |
| Density: | 1.187 g/cm3 |
| Boiling Point: | 221.2 °C at 760 mmHg |
| Flash Point: | 92.1 °C |
| PSA: | 26.02000 |
| LogP: | 3.25740 |
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- Total:21 Page 1 of 1 1
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Specification
The systematic name of 2,2,2-Trifluoro-1-(4-methylphenyl)ethylamine is 2,2,2-trifluoro-1-(p-tolyl)ethanamine. With the CAS registry number 75703-26-3, it is also named as 2,2,2-Trifluoro-1-(p-tolyl)ethylamine. The product's molecular formula is C9H10F3N and its molecular weight is 189.18.
The other characteristics of 2,2,2-Trifluoro-1-(4-methylphenyl)ethylamine can be summarized as: (1)ACD/LogP: 2.42 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1.72 ; (4)ACD/LogD (pH 7.4): 2.4 ; (5)H bond acceptors: 1 ; (6)H bond donors: 2 ; (7)Freely Rotating Bonds: 2 ; (8)Index of Refraction: 1.472 ; (9)Molar Refractivity: 44.62 cm3 ; (10)Molar Volume: 159.3 cm3 ; (11)Surface Tension: 29.9 dyne/cm ; (12)Density: 1.187 g/cm3 ; (13)Flash Point: 92.1 °C ; (14)Enthalpy of Vaporization: 45.76 kJ/mol ; (15)Boiling Point: 221.2 °C at 760 mmHg ; (16)Vapour Pressure: 0.109 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:Cc1ccc(cc1)C(C(F)(F)F)N;
(2)InChI:InChI=1/C9H10F3N/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2-5,8H,13H2,1H3;
(3)InChIKey:UXPQTBRCSUZWOK-UHFFFAOYAP;
(4)Std. InChI:InChI=1S/C9H10F3N/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2-5,8H,13H2,1H3;
(5)Std. InChIKey:UXPQTBRCSUZWOK-UHFFFAOYSA-N.