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2-Pyridinecarboxylicacid, 4-butyl-

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Name

2-Pyridinecarboxylicacid, 4-butyl-

EINECS N/A
CAS No. 83282-39-7 Density 1.113 g/cm3
PSA 50.19000 LogP 2.12240
Solubility N/A Melting Point N/A
Formula C10H13NO2 Boiling Point 338.6 °C at 760 mmHg
Molecular Weight 179.219 Flash Point 158.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 83282-39-7 (4-N-BUTYLPYRIDINE-2-CARBOXYLIC ACID) Hazard Symbols N/A
Synonyms

Picolinicacid, 4-butyl- (6CI);4-Butyl-2-pyridinecarboxylic acid;4-butylpyridine-2-carboxylic acid;

Article Data 3

2-Pyridinecarboxylicacid, 4-butyl- 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

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