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| CAS No.: | 83282-39-7 |
|---|---|
| Name: | 4-N-BUTYLPYRIDINE-2-CARBOXYLIC ACID |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C10H13NO2 |
| Molecular Weight: | 179.219 |
| Synonyms: | Picolinicacid, 4-butyl- (6CI);4-Butyl-2-pyridinecarboxylic acid;4-butylpyridine-2-carboxylic acid; |
| Density: | 1.113 g/cm3 |
| Boiling Point: | 338.6 °C at 760 mmHg |
| Flash Point: | 158.6 °C |
| PSA: | 50.19000 |
| LogP: | 2.12240 |
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- Total:34 Page 1 of 1 1
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Specification
The 2-Pyridinecarboxylicacid, 4-butyl-, with the CAS registry number 83282-39-7, has the systematic name of 4-butylpyridine-2-carboxylic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H13NO2.
The characteristics of 2-Pyridinecarboxylicacid, 4-butyl- are as followings: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.03; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.24; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 50.19 Å2; (12)Index of Refraction: 1.534; (13)Molar Refractivity: 50.08 cm3; (14)Molar Volume: 161 cm3; (15)Polarizability: 19.85×10-24cm3; (16)Surface Tension: 46.1 dyne/cm; (17)Density: 1.113 g/cm3; (18)Flash Point: 158.6 °C; (19)Enthalpy of Vaporization: 61.43 kJ/mol; (20)Boiling Point: 338.6 °C at 760 mmHg; (21)Vapour Pressure: 3.78E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1cc(CCCC)ccn1
(2)InChI: InChI=1/C10H13NO2/c1-2-3-4-8-5-6-11-9(7-8)10(12)13/h5-7H,2-4H2,1H3,(H,12,13)
(3)InChIKey: XXKNPKZQZRFTRA-UHFFFAOYAF