4-(2-Pyridinyl)butanoic acid supplier

Name
4-(pyridin-2-yl)butanoic acid
EINECS
CAS No. 102879-51-6
Article Data7
CAS DataBase
Density 1.154g/cm³
Solubility
Melting Point 84-85 °C
Formula C₉H₁₁NO₂
Boiling Point 303.7 °C at 760 mmHg
Molecular Weight 165.192
Flash Point 137.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Pyridinebutyricacid (6CI);
PSA 50.19000
LogP 1.48890

4-(2-Pyridinyl)butanoic acid Specification

The 4-(2-Pyridinyl)butanoic acid with cas registry number of 102879-51-6, has the systematic name of 4-(pyridin-2-yl)butanoic acid. And it is also named 2-pyridinebutanoic acid.

Physical properties about this chemical are: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3.42; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 50.19 Å²; (11)Index of Refraction: 1.537; (12)Molar Refractivity: 44.72 cm³; (13)Molar Volume: 143.1 cm³; (14)Polarizability: 17.72×10^-24cm³; (15)Surface Tension: 49.3 dyne/cm; (16)Enthalpy of Vaporization: 57.44 kJ/mol; (17)Vapour Pressure: 0.000403 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)CCCc1ccccn1;
(2)InChI: InChI=1/C9H11NO2/c11-9(12)6-3-5-8-4-1-2-7-10-8/h1-2,4,7H,3,5-6H2,(H,11,12);
(3)InChIKey: HUWVYTTVLDALOP-UHFFFAOYAK;
(4)Std. InChI: InChI=1S/C9H11NO2/c11-9(12)6-3-5-8-4-1-2-7-10-8/h1-2,4,7H,3,5-6H2,(H,11,12);
(5)Std. InChIKey: HUWVYTTVLDALOP-UHFFFAOYSA-N

Product Name

4-(pyridin-2-yl)butanoic acid

4-(2-Pyridinyl)butanoic acid Specification

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