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

Name
5-TERT-BUTYL-2-METHYL-4-PYRROLIDIN-1-YLMETHYL-FURAN-3-CARBOXYLIC ACID
EINECS
CAS No. 435341-86-9
Density 1.122 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₃NO₃
Boiling Point 351.2 °C at 760 mmHg
Molecular Weight 265.348
Flash Point 166.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms ZINC00281056;
PSA 53.68000
LogP 3.11740

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

The 5-tert-Butyl-2-methyl-4-(pyrrolidin-1-ylmethyl)-3-furoic acid, with the CAS registry number 435341-86-9, is also known as ZINC00281056. This chemical's molecular formula is C₁₅H₂₃NO₃ and molecular weight is 265.167794. Its IUPAC name is called 5-tert-butyl-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)furan-3-carboxylate.

Physical properties of 5-tert-Butyl-2-methyl-4-(pyrrolidin-1-ylmethyl)-3-furoic acid: (1)ACD/LogP: 3.15; (2)ACD/LogD (pH 5.5): 0.63; (3)ACD/LogD (pH 7.4): 0.65; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.74; (7)ACD/KOC (pH 7.4): 3.88; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.535; (12)Molar Refractivity: 73.62 cm³; (13)Molar Volume: 236.3 cm³; (14)Surface Tension: 44.2 dyne/cm; (15)Density: 1.122 g/cm³; (16)Flash Point: 166.2 °C; (17)Enthalpy of Vaporization: 62.88 kJ/mol; (18)Boiling Point: 351.2 °C at 760 mmHg; (19)Vapour Pressure: 1.55E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=C(O1)C(C)(C)C)C[NH+]2CCCC2)C(=O)[O-]
(2)InChI: InChI=1S/C15H23NO3/c1-10-12(14(17)18)11(9-16-7-5-6-8-16)13(19-10)15(2,3)4/h5-9H2,1-4H3,(H,17,18)
(3)InChIKey: CNSVDEJTMAQHQU-UHFFFAOYSA-N

Product Name

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

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

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