-
Name
3-Pyridinemethanol, 4-(4-fluoro-2-hydroxyphenyl)-a-methyl-2,6-bis(1-methylethyl)-5-propyl-, (aR,4S)-rel- (9CI)
- EINECS
- CAS No. 202917-18-8
- Article Data2
- CAS DataBase
- Density 1.085g/cm3
- Solubility
- Melting Point
- Formula C22H30FNO2
- Boiling Point 469.6 °C at 760 mmHg
- Molecular Weight 359.484
- Flash Point 237.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 3-Pyridinemethanol, 4-(4-fluoro-2-hydroxyphenyl)-a-methyl-2,6-bis(1-methylethyl)-5-propyl-;
- PSA 52.49000
- LogP 5.54800
(alphaR,4S)-4-(4-Fluoro-2-hydroxyphenyl)-alpha-methyl-2,6-bis(1-methylethyl)-5-propyl-3-pyridinemethanol Specification
The (alphaR,4S)-4-(4-Fluoro-2-hydroxyphenyl)-alpha-methyl-2,6-bis(1-methylethyl)-5-propyl-3-pyridinemethanol, with the cas number 202917-18-8, is also called 3-Pyridinemethanol, 4-(4-fluoro-2-hydroxyphenyl)-a-methyl-2,6-bis(1-methylethyl)-5-propyl-. The systematic name is 5-fluoro-2-[3-(1-hydroxyethyl)-2,6-bis(1-methylethyl)-5-propylpyridin-4-yl]phenol. Its molecular formula is C22H30FNO2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 5.25; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.55; (4)ACD/LogD (pH 7.4): 4.81; (5)ACD/BCF (pH 5.5): 1154.57; (6)ACD/BCF (pH 7.4): 2084.92; (7)ACD/KOC (pH 5.5): 3434.78; (8)ACD/KOC (pH 7.4): 6202.5; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 53.35 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 104.45 cm3; (15)Molar Volume: 331.1 cm3; (16)Polarizability: 41.4×10-24cm3; (17)Surface Tension: 40.5 dyne/cm ; (18)Enthalpy of Vaporization: 77.11 kJ/mol; (19)Vapour Pressure: 1.28×10-9 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)c1nc(c(CCC)c(c1C(C)O)c2ccc(F)cc2O)C(C)C
(2)InChI: InChI=1/C22H30FNO2/c1-7-8-17-20(16-10-9-15(23)11-18(16)26)19(14(6)25)22(13(4)5)24-21(17)12(2)3/h9-14,25-26H,7-8H2,1-6H3
(3)InChIKey: WPUCRISSEKWRQP-UHFFFAOYAD
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