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CAS No.: | 5264-15-3 |
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Name: | 4-PYRIDIN-4-YL-BUTAN-1-OL |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C9H13NO |
Molecular Weight: | 151.208 |
Synonyms: | 4-(4-Hydroxybutyl)pyridine;4-(4-Pyridinyl)butyl alcohol;4-(Pyridin-4-yl)butan-1-ol;4-(g-Pyridyl)butanol; |
Density: | 1.036 g/cm3 |
Boiling Point: | 290.9 °C at 760 mmHg |
Flash Point: | 129.7 °C |
PSA: | 33.12000 |
LogP: | 1.39660 |
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The 4-Pyridinebutanol is an organic compound with the formula C9H13NO. The IUPAC name of this chemical is 4-pyridin-4-ylbutan-1-ol. With the CAS registry number 5264-15-3, it is also named as 4-(Pyridin-4-yl)butan-1-ol.
Physical properties about 4-Pyridinebutanol are: (1)ACD/LogP: 0.91; (2)ACD/LogD (pH 5.5): 0.25; (3)ACD/LogD (pH 7.4): 0.89; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2.78; (6)ACD/KOC (pH 5.5): 16.42; (7)ACD/KOC (pH 7.4): 71.47; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 22.12 Å2; (12)Index of Refraction: 1.524; (13)Molar Refractivity: 44.69 cm3; (14)Molar Volume: 145.9 cm3; (15)Polarizability: 17.71×10-24cm3; (16)Surface Tension: 43.2 dyne/cm; (17)Density: 1.035 g/cm3; (18)Flash Point: 129.7 °C; (19)Enthalpy of Vaporization: 56.01 kJ/mol; (20)Boiling Point: 290.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000924 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCCCc1ccncc1
(2)InChI: InChI=1/C9H13NO/c11-8-2-1-3-9-4-6-10-7-5-9/h4-7,11H,1-3,8H2
(3)InChIKey: HFGNRLFZUNCBPF-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H13NO/c11-8-2-1-3-9-4-6-10-7-5-9/h4-7,11H,1-3,8H2
(5)Std. InChIKey: HFGNRLFZUNCBPF-UHFFFAOYSA-N