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CAS No.: | 1496-40-8 |
---|---|
Name: | N-(2-AMINO-4-TRIFLUOROMETHYLPHENYL)PIPERIDINE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C12H15F3N2 |
Molecular Weight: | 244.26 |
Synonyms: | Piperidine,1-(2-amino-a,a,a-trifluoro-p-tolyl)- (7CI,8CI);2-Piperidino-5-trifluoromethylaniline;2-Piperidin-1-yl-5-(trifluoromethyl)aniline; |
Density: | 1.236 g/cm3 |
Melting Point: | 41 °C |
Boiling Point: | 332.162 °C at 760 mmHg |
Flash Point: | 154.686 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 29.26000 |
LogP: | 3.92410 |
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The Benzenamine,2-(1-piperidinyl)-5-(trifluoromethyl)-, with the CAS registry number 1496-40-8, is also known as 2-Piperidino-5-trifluoromethylaniline. This chemical's molecular formula is C12H15F3N2 and molecular weight is 244.26. What's more, its IUPAC name is 2-piperidin-1-yl-5-(trifluoromethyl)aniline. It should be sealed and stored in a cool and dry place. What's more, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.
Physical properties of Benzenamine,2-(1-piperidinyl)-5-(trifluoromethyl)- are: (1)ACD/LogP: 4.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.611; (4)ACD/LogD (pH 7.4): 4.267; (5)ACD/BCF (pH 5.5): 244.878; (5)ACD/BCF (pH 7.4): 1019.304; (6)ACD/KOC (pH 5.5): 1078.52; (7)ACD/KOC (pH 7.4): 4888.61; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 29.26 Å2; (12)Index of Refraction: 1.523; (13)Molar Refractivity: 60.285 cm3; (14)Molar Volume: 197.492 cm3; (15)Polarizability: 23.899×10-24cm3; (16)Surface Tension: 38.122 dyne/cm; (17)Density: 1.237 g/cm3; (18)Flash Point: 154.686 °C; (19)Enthalpy of Vaporization: 57.49 kJ/mol; (20)Boiling Point: 332.162 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)N
(2)InChI: InChI=1S/C12H15F3N2/c13-12(14,15)9-4-5-11(10(16)8-9)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,16H2
(3)InChIKey: BERRRZOJDANPHE-UHFFFAOYSA-N