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CAS No.: | 201286-63-7 |
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Name: | 4-Pyridinemethanol,3,5-dimethyl-(9CI) |
Molecular Structure: | |
Formula: | C8H11NO |
Molecular Weight: | 137.181 |
Synonyms: | 4-Pyridinemethanol,3,5-dimethyl-(9CI);(3,5-dimethylpyridin-4-yl)methanol |
Density: | 1.063 g/cm3 |
Boiling Point: | 283.71 °C at 760 mmHg |
Flash Point: | 125.384 °C |
PSA: | 33.12000 |
LogP: | 1.19070 |
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The CAS registry number of 4-Pyridinemethanol, 3, 5-dimethyl- is 201286-63-7. It belongs to the product category of Pyridine. This chemical's molecular formula is C8H11NO and molecular weight is 137.181. What's more, its systematic name is (3, 5-Dimethylpyridin-4-yl)methanol.
Physical properties about 4-Pyridinemethanol, 3, 5-dimethyl- are: (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15; (8)ACD/KOC (pH 7.4): 42; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.12 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 40.445 cm3; (15)Molar Volume: 129.024 cm3; (16)Polarizability: 16.034×10-24 cm3; (17)Surface Tension: 42.924 dyne/cm; (18)Density: 1.063 g/cm3; (19)Flash Point: 125.384 °C; (20)Enthalpy of Vaporization: 55.202 kJ/mol; (21)Boiling Point: 283.71 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCc1c(C)cncc1C
(2) InChI: InChI=1/C8H11NO/c1-6-3-9-4-7(2)8(6)5-10/h3-4,10H,5H2,1-2H3
(3) InChIKey: SZHUEIGUEWFQCA-UHFFFAOYAU