5-Isobutyl-2-methyl-4-(pyrrolidin-1-ylmethyl)-3-furoic acid supplier

Name
5-ISOBUTYL-2-METHYL-4-PYRROLIDIN-1-YLMETHYL-FURAN-3-CARBOXYLIC ACID
EINECS
CAS No. 435341-88-1
Density 1.124 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₃NO₃
Boiling Point 356.9 °C at 760 mmHg
Molecular Weight 265.167794
Flash Point 169.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Furancarboxylicacid, 2-methyl-5-(2-methylpropyl)-4-(1-pyrrolidinylmethyl)-, hydrochloride(9CI);
PSA 53.68000
LogP 3.01840

5-Isobutyl-2-methyl-4-(pyrrolidin-1-ylmethyl)-3-furoic acid Specification

The 5-Isobutyl-2-methyl-4-(pyrrolidin-1-ylmethyl)-3-furoic acid, with the CAS registry number 435341-88-1, is also known as ZINC00281062. This chemical's molecular formula is C₁₅H₂₃NO₃ and molecular weight is 265.167794. Its IUPAC name is called 2-methyl-5-(2-methylpropyl)-4-(pyrrolidin-1-ium-1-ylmethyl)furan-3-carboxylate.

Physical properties of 5-Isobutyl-2-methyl-4-(pyrrolidin-1-ylmethyl)-3-furoic acid: (1)ACD/LogP: 3.33; (2)ACD/LogD (pH 5.5): 0.82; (3)ACD/LogD (pH 7.4): 0.83; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.73; (7)ACD/KOC (pH 7.4): 4.87; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.539; (12)Molar Refractivity: 74 cm³; (13)Molar Volume: 235.8 cm³; (14)Surface Tension: 45 dyne/cm; (15)Density: 1.124 g/cm³; (16)Flash Point: 169.6 °C; (17)Enthalpy of Vaporization: 63.54 kJ/mol; (18)Boiling Point: 356.9 °C at 760 mmHg; (19)Vapour Pressure: 1.03E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=C(O1)CC(C)C)C[NH+]2CCCC2)C(=O)[O-]
(2)InChI: InChI=1S/C15H23NO3/c1-10(2)8-13-12(9-16-6-4-5-7-16)14(15(17)18)11(3)19-13/h10H,4-9H2,1-3H3,(H,17,18)
(3)InChIKey: ALZKLDYJMQRCIQ-UHFFFAOYSA-N

Product Name

5-ISOBUTYL-2-METHYL-4-PYRROLIDIN-1-YLMETHYL-FURAN-3-CARBOXYLIC ACID

5-Isobutyl-2-methyl-4-(pyrrolidin-1-ylmethyl)-3-furoic acid Specification

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