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CAS No.: | 133184-80-2 |
---|---|
Name: | N-(2-AMINO-4-TRIFLUOROMETHYLPHENYL)PYRROLIDINE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C11H13F3N2 |
Molecular Weight: | 230.233 |
Synonyms: | N-[2-Amino-4-(trifluoromethyl)phenyl]pyrrolidine; |
Density: | 1.28 g/cm3 |
Melting Point: | 33 °C |
Boiling Point: | 315.4 °C at 760 mmHg |
Flash Point: | 144.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 29.26000 |
LogP: | 3.53400 |
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The Benzenamine,2-(1-pyrrolidinyl)-5-(trifluoromethyl)-, with the CAS registry number of 133184-80-2, is also known as N-[2-Amino-4-(trifluoromethyl)phenyl]pyrrolidine. Its molecular formula is C11H13F3N2 and molecular weight is 230.23. What's more, its IUPAC name is 2-Pyrrolidin-1-yl-5-(trifluoromethyl)aniline.
Physical properties about Benzenamine,2-(1-pyrrolidinyl)-5-(trifluoromethyl)- are: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 3.26; (5)ACD/BCF (pH 5.5): 88.44; (6)ACD/BCF (pH 7.4): 176.87; (7)ACD/KOC (pH 5.5): 704.53; (8)ACD/KOC (pH 7.4): 1408.94; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 55.67 cm3; (15)Molar Volume: 179.7 cm3; (16)Surface Tension: 39.5 dyne/cm; (17)Density: 1.28 g/cm3; (18)Flash Point: 144.5 °C; (19)Enthalpy of Vaporization: 55.66 kJ/mol; (20)Boiling Point: 315.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00044 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. During using it, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1cc(c(cc1)N2CCCC2)N
(2) InChI: InChI=1/C11H13F3N2/c12-11(13,14)8-3-4-10(9(15)7-8)16-5-1-2-6-16/h3-4,7H,1-2,5-6,15H2
(3) InChIKey: HPDFKXPVMXSXGE-UHFFFAOYAE