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| CAS No.: | 17463-43-3 |
|---|---|
| Name: | 3,3,3-Trifluoro-DL-alanine |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C3H4F3NO2 |
| Molecular Weight: | 143.065 |
| Synonyms: | Alanine,3,3,3-trifluoro-, DL- (8CI);DL-Alanine, 3,3,3-trifluoro-;3,3,3-Trifluoro-DL-alanine;3,3,3-Trifluoroalanine;DL-3,3,3-Trifluoroalanine;DL-Trifluoroalanine;DL-a-Trifluoromethylglycine;b,b,b-Trifluoro-DL-alanine; |
| EINECS: | 241-478-2 |
| Density: | 1.536 g/cm3 |
| Melting Point: | 231-234 °C(lit.) |
| Boiling Point: | 227.9 °C at 760 mmHg |
| Flash Point: | 91.6 °C |
| Hazard Symbols: | R36/37/38:; |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 63.32000 |
| LogP: | 0.66090 |
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Specification
This chemical is called 3,3,3-Trifluoro-DL-alanine, and it can also be named as 3,3,3-Trifluoroalanine. With the molecular formula of C3H4F3NO2, its molecular weight is 143.06. The CAS registry number of this chemical is 17463-43-3, and its product categories are Alanine Derivatives; Peptide Synthesis; Unnatural Amino Acid Derivatives.
Other characteristics of the 3,3,3-Trifluoro-DL-alanine can be summarised as followings: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.03; (4)ACD/LogD (pH 7.4): -1.88; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.377; (14)Molar Refractivity: 21.46 cm3; (15)Molar Volume: 93.1 cm3; (16)Polarizability: 8.5×10-24cm3; (17)Surface Tension: 33 dyne/cm; (18)Density: 1.536 g/cm3; (19)Flash Point: 91.6 °C; (20)Enthalpy of Vaporization: 51.16 kJ/mol; (21)Boiling Point: 227.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0272 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)C(N)C(=O)O
2.InChI: InChI=1/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9)
3.InChIKey: HMJQKIDUCWWIBW-UHFFFAOYAX