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| CAS No.: | 90390-07-1 |
|---|---|
| Name: | N-METHYL-N-[3-(TRIFLUOROMETHYL)BENZYL]AMINE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C9H10F3N |
| Molecular Weight: | 189.18 |
| Synonyms: | Methyl(3-trifluoromethylbenzyl)amine;N-Methyl-3-(trifluoromethyl)benzylamine;N-[3-(Trifluoromethyl)benzyl]-N-methylamine; |
| Density: | 1.149 g/cm3 |
| Boiling Point: | 177.9 °C at 760 mmHg |
| Flash Point: | 61.4 °C |
| Appearance: | pale yellow liquid. |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-36-52 |
| Safety: | 26 |
| PSA: | 12.03000 |
| LogP: | 2.81570 |
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- Total:23 Page 1 of 1 1
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Specification
The Benzenemethanamine,N-methyl-3-(trifluoromethyl)-, with CAS registry number 90390-07-1, belongs to the following product categories: (1)Amines and Anilines; (2)API intermediates. It has the systematic name of N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine. And the chemical formula of this chemical is C9H10F3N.
Physical properties of Benzenemethanamine,N-methyl-3-(trifluoromethyl)-: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.451; (8)Molar Refractivity: 44.37 cm3; (9)Molar Volume: 164.5 cm3; (10)Polarizability: 17.59×10-24cm3; (11)Surface Tension: 25.2 dyne/cm; (12)Enthalpy of Vaporization: 41.42 kJ/mol; (13)Vapour Pressure: 1.01 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(c1)CNC
(2)InChI: InChI=1/C9H10F3N/c1-13-6-7-3-2-4-8(5-7)9(10,11)12/h2-5,13H,6H2,1H3
(3)InChIKey: JFLPPELZYKHKQZ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C9H10F3N/c1-13-6-7-3-2-4-8(5-7)9(10,11)12/h2-5,13H,6H2,1H3
(5)Std. InChIKey: JFLPPELZYKHKQZ-UHFFFAOYSA-N