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| CAS No.: | 401900-40-1 |
|---|---|
| Name: | Andarine |
| Molecular Structure: | |
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| Formula: | C19H18F3N3O6 |
| Molecular Weight: | 441.364 |
| Synonyms: | N-[4-Nitro-3-(trifluoromethyl)phenyl]-(2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methylpropanamide; |
| Density: | 1.472 g/cm3 |
| Melting Point: | 70-74 °C |
| Boiling Point: | 698.735 °C at 760 mmHg |
| Flash Point: | 376.381 °C |
| Solubility: | 1.2 mg/mL in water |
| Appearance: | Pale yellow solid |
| Hazard Symbols: | 9666695 |
| Risk Codes: | 9666695 |
| Safety: | 9666695 |
| PSA: | 133.48000 |
| LogP: | 4.00970 |
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Specification
The Andarine, with CAS registry number 401900-40-1, belongs to the following product category: APIs. It has the systematic name of (2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide. Besides this, it is also called propanamide, 3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-, (2S)-. And the chemical formula of this chemical is C19H18F3N3O6.
Physical properties of Andarine: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 655; (6)ACD/BCF (pH 7.4): 655; (7)ACD/KOC (pH 5.5): 3608; (8)ACD/KOC (pH 7.4): 3608; (9)#H bond acceptors: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 133.48 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 103.338 cm3; (15)Molar Volume: 299.912 cm3; (16)Polarizability: 40.966×10-24cm3; (17)Surface Tension: 53.428 dyne/cm; (18)Enthalpy of Vaporization: 107.431 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(ccc1[N+]([O-])=O)NC(=O)[C@@](O)(COc2ccc(cc2)NC(=O)C)C
(2)InChI: InChI=1/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1
(3)InChIKey: YVXVTLGIDOACBJ-SFHVURJKBR
(4)Std. InChI: InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1
(5)Std. InChIKey: YVXVTLGIDOACBJ-SFHVURJKSA-N