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CAS No.: | 819-46-5 |
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Name: | 4,4,4-TRIFLUOROBUTYLAMINE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C4H8F3N |
Molecular Weight: | 127.109 |
Synonyms: | Butylamine,4,4,4-trifluoro- (7CI,8CI);4,4,4-Trifluorobutylamine;4,4,4-Trifluorobutan-1-amine; |
Density: | 1.108 g/cm3 |
Boiling Point: | 67.1 °C at 760 mmHg |
Flash Point: | 3.6 °C |
Hazard Symbols: | C |
PSA: | 26.02000 |
LogP: | 1.98790 |
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The 1-Butanamine,4,4,4-trifluoro-, with the CAS registry number 819-46-5, is also known as 1-Amino-4,4,4-trifluorobutane. This chemical's molecular formula is C4H8F3N and molecular weight is 127.11. What's more, both its IUPAC name and systematic name are the same which is called 4,4,4-Trifluorobutan-1-amine. When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact.
Physical properties about 1-Butanamine,4,4,4-trifluoro- are: (1) ACD/LogP: 0.57; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -2.47; (4) ACD/LogD (pH 7.4): -1.42; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 1; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 3.24 Å2; (13) Index of Refraction: 1.348; (14) Molar Refractivity: 24.57 cm3; (15) Molar Volume: 114.6 cm3; (16) Surface Tension: 20.5 dyne/cm; (17) Density: 1.108 g/cm3; (18) Flash Point: 3.6 °C; (19) Enthalpy of Vaporization: 30.89 kJ/mol; (20) Boiling Point: 67.1 °C at 760 mmHg; (21) Vapour Pressure: 148 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)CCCN
(2) InChI: InChI=1/C4H8F3N/c5-4(6,7)2-1-3-8/h1-3,8H2
(3) InChIKey: LAXWLCVPJLBABV-UHFFFAOYAT