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CAS No.: | 5335-75-1 |
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Name: | 4-BUTYL PYRIDINE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C9H13N |
Molecular Weight: | 135.209 |
Synonyms: | 1-(4-Pyridyl)butane;4-(n-Butyl)pyridine;4-Butylpyridine;NSC 970; |
Density: | 0.911g/cm3 |
Melting Point: | 31.33°C (estimate) |
Boiling Point: | 207.001 °C at 760 mmHg |
Flash Point: | 81.671 °C |
PSA: | 12.89000 |
LogP: | 2.42420 |
The Pyridine, 4-butyl-, with CAS registry number 5335-75-1, has the systematic name of 4-butylpyridine. Besides this, it is also called Pyridine, 4-n-butyl. And the chemical formula of this chemical is C9H13N. Its molecular weight is 135.21.
Physical properties of Pyridine, 4-butyl-: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.213; (4)ACD/LogD (pH 7.4): 2.84; (5)ACD/BCF (pH 5.5): 19.809; (6)ACD/BCF (pH 7.4): 83.9; (7)ACD/KOC (pH 5.5): 193.412; (8)ACD/KOC (pH 7.4): 819.183; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 43.159 cm3; (15)Molar Volume: 148.488 cm3; (16)Polarizability: 17.11×10-24cm3; (17)Surface Tension: 33.633 dyne/cm; (18)Density: 0.911 g/cm3; (19)Flash Point: 81.671 °C; (20)Enthalpy of Vaporization: 42.516 kJ/mol; (21)Boiling Point: 207.001 °C at 760 mmHg; (22)Vapour Pressure: 0.331 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-butyl-1-ethoxycarbonyl-1,4-dihydropyridine. This reaction will need reagent O2 and solvent neat. The reaction time is 6.5 hour(s). The yield is about 68%.
Uses of Pyridine, 4-butyl-: it can be used to produce 4-butyl-pyridin-2-ylamine. This reaction will need reagents NaNH2, cumene. The reaction temperature is 150 ℃.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCc1ccncc1
(2)InChI: InChI=1/C9H13N/c1-2-3-4-9-5-7-10-8-6-9/h5-8H,2-4H2,1H3
(3)InChIKey: LWMDPZVQAMQFOC-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C9H13N/c1-2-3-4-9-5-7-10-8-6-9/h5-8H,2-4H2,1H3
(5)Std. InChIKey: LWMDPZVQAMQFOC-UHFFFAOYSA-N