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Name |
5-Morpholin-4-ylmethyl-furan-2-carboxylic acid |
EINECS | N/A |
CAS No. | 26095-36-3 | Density | 1.302 g/cm3 |
PSA | 62.91000 | LogP | 0.74790 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H13NO4 | Boiling Point | 356.7 °C at 760 mmHg |
Molecular Weight | 211.2145 | Flash Point | 169.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-(Morpholin-4-ylmethyl)-2-furoic acid; |
Article Data | 2 |
The 2-Furancarboxylic acid, 5-(4-morpholinylmethyl)-, with the CAS registry number 26095-36-3, is also known as 5-(Morpholin-4-ylmethyl)-2-furoic acid. This chemical's molecular formula is C10H13NO4 and molecular weight is 211.2145. What's more, its IUPAC name is 5-(Morpholin-4-ylmethyl)furan-2-carboxylic acid.
Physical properties about 2-Furancarboxylic acid, 5-(4-morpholinylmethyl)- are: (1)ACD/LogP: -0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.86; (4)ACD/LogD (pH 7.4): -3.44; (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: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 51.91 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 52.01 cm3; (15)Molar Volume: 162.1 cm3; (16)Polarizability: 20.62×10-24 cm3; (17)Surface Tension: 52.6 dyne/cm; (18)Density: 1.302 g/cm3; (19)Flash Point: 169.6 °C; (20)Enthalpy of Vaporization: 63.53 kJ/mol; (21)Boiling Point: 356.7 °C at 760 mmHg; (22)Vapour Pressure: 1.04E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1oc(cc1)CN2CCOCC2
(2) InChI: InChI=1/C10H13NO4/c12-10(13)9-2-1-8(15-9)7-11-3-5-14-6-4-11/h1-2H,3-7H2,(H,12,13)
(3) InChIKey: NTMWPNLDMTVPBO-UHFFFAOYAH