3-Pyridinecarboxylicacid, 6-[2-(1-pyrrolidinyl)ethyl]- supplier

Name
6-(2-PYRROLIDIN-1-YLETHYL)NICOTINICACID
EINECS
CAS No. 387350-41-6
Density 1.198 g/cm³
Solubility
Melting Point 198-205 °C
Formula C₁₂H₁₆N₂O₂
Boiling Point 372.5 °C at 760 mmHg
Molecular Weight 220.27
Flash Point 179.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-[2-(Pyrrolidin-1-yl)ethyl]pyridine-3-carboxylic acid;6-[2-(Pyrrolidin-1-yl)ethyl]nicotinicacid;6-(2-pyrrolidinylethyl)pyridine-3-carboxylic acid;2-[2-(Pyrrolidin-1-yl)ethyl]pyridine-5-carboxylic acid;
PSA 53.43000
LogP 1.35600

3-Pyridinecarboxylicacid, 6-[2-(1-pyrrolidinyl)ethyl]- Specification

The 3-Pyridinecarboxylicacid, 6-[2-(1-pyrrolidinyl)ethyl]-, with the CAS registry number 387350-41-6, is also known as 2-[2-(Pyrrolidin-1-yl)ethyl]pyridine-5-carboxylic acid. This chemical's molecular formula is C₁₂H₁₆N₂O₂ and molecular weight is 220.27. What's more, its systematic name is 6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid.

Physical properties of 3-Pyridinecarboxylicacid, 6-[2-(1-pyrrolidinyl)ethyl]- are: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.88; (4)ACD/LogD (pH 7.4): -1.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 42.43 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 60.84 cm³; (15)Molar Volume: 183.8 cm³; (16)Polarizability: 24.12×10^-24 cm³; (17)Surface Tension: 53.4 dyne/cm; (18)Density: 1.198 g/cm³; (19)Flash Point: 179.1 °C; (20)Enthalpy of Vaporization: 65.37 kJ/mol; (21)Boiling Point: 372.5 °C at 760 mmHg; (22)Vapour Pressure: 3.3E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(O)c1ccc(nc1)CCN2CCCC2
(2)InChI: InChI=1/C12H16N2O2/c15-12(16)10-3-4-11(13-9-10)5-8-14-6-1-2-7-14/h3-4,9H,1-2,5-8H2,(H,15,16)
(3)InChIKey: JNYWIOXOYFVKQG-UHFFFAOYAE

Product Name

6-(2-PYRROLIDIN-1-YLETHYL)NICOTINICACID

3-Pyridinecarboxylicacid, 6-[2-(1-pyrrolidinyl)ethyl]- Specification

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