2-Furancarboxylic acid,5-methyl-4-(1-piperidinylmethyl)- supplier

Name
5-METHYL-4-PIPERIDIN-1-YLMETHYL-FURAN-2-CARBOXYLIC ACID
EINECS
CAS No. 299920-95-9
Density 1.191 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇NO₃
Boiling Point 348.1 °C at 760 mmHg
Molecular Weight 223.272
Flash Point 164.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms ZINC00310869;
PSA 53.68000
LogP 2.21000

2-Furancarboxylic acid,5-methyl-4-(1-piperidinylmethyl)- Specification

The 2-Furancarboxylic acid,5-methyl-4-(1-piperidinylmethyl)-, with the CAS registry number 299920-95-9, is also known as ZINC00310869. This chemical's molecular formula is C₁₂H₁₇NO₃ and molecular weight is 223.2683. Its IUPAC name is called 5-methyl-4-(piperidin-1-ium-1-ylmethyl)furan-2-carboxylate. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 2-Furancarboxylic acid,5-methyl-4-(1-piperidinylmethyl)-: (1)ACD/LogP: 1.63; (2)ACD/LogD (pH 5.5): -0.87; (3)ACD/LogD (pH 7.4): -0.88; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.551; (12)Molar Refractivity: 59.84 cm³; (13)Molar Volume: 187.4 cm³; (14)Surface Tension: 48.5 dyne/cm; (15)Density: 1.191 g/cm³; (16)Flash Point: 164.3 °C; (17)Enthalpy of Vaporization: 62.52 kJ/mol; (18)Boiling Point: 348.1 °C at 760 mmHg; (19)Vapour Pressure: 1.94E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCCCC2
(2)InChI: InChI=1S/C12H17NO3/c1-9-10(7-11(16-9)12(14)15)8-13-5-3-2-4-6-13/h7H,2-6,8H2,1H3,(H,14,15)
(3)InChIKey: JTYSYYIVQNSMAN-UHFFFAOYSA-N

Product Name

5-METHYL-4-PIPERIDIN-1-YLMETHYL-FURAN-2-CARBOXYLIC ACID

2-Furancarboxylic acid,5-methyl-4-(1-piperidinylmethyl)- Specification

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