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CAS No.: | 301353-36-6 |
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Name: | 5-PIPERIDIN-1-YLMETHYL-FURAN-2-CARBOXYLIC ACID |
Molecular Structure: | |
Formula: | C11H15NO3 |
Molecular Weight: | 209.245 |
Synonyms: | 5-(Piperidin-1-ylmethyl)furan-2-carboxylicacid; |
Density: | 1.222 g/cm3 |
Boiling Point: | 340.4 °C at 760 mmHg |
Flash Point: | 159.7 °C |
Hazard Symbols: | Xi |
PSA: | 53.68000 |
LogP: | 1.90160 |
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The 2-Furancarboxylic acid, 5-(1-piperidinylmethyl)-, with the CAS registry number 301353-36-6, is also known as 5-(Piperidin-1-ylmethyl)-2-furoic acid. This chemical's molecular formula is C11H15NO3 and molecular weight is 209.24. What's more, its IUPAC name is 5-(Piperidin-1-ylmethyl)furan-2-carboxylic acid. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 2-Furancarboxylic acid, 5-(1-piperidinylmethyl)- are: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.32; (4)ACD/LogD (pH 7.4): -1.58; (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: 3; (12)Polar Surface Area: 42.68 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 55.02 cm3; (15)Molar Volume: 171.1 cm3; (16)Polarizability: 21.81×10-24 cm3; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.222 g/cm3; (19)Flash Point: 159.7 °C; (20)Enthalpy of Vaporization: 61.63 kJ/mol; (21)Boiling Point: 340.4 °C at 760 mmHg; (22)Vapour Pressure: 3.34E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1oc(cc1)CN2CCCCC2
(2) InChI: InChI=1/C11H15NO3/c13-11(14)10-5-4-9(15-10)8-12-6-2-1-3-7-12/h4-5H,1-3,6-8H2,(H,13,14)
(3) InChIKey: FOMTWLBLESUJEU-UHFFFAOYAD