2-Furancarboxylic acid,5-(1-pyrrolidinylmethyl)- supplier

Name
5-PYRROLIDIN-1-YLMETHYL-FURAN-2-CARBOXYLIC ACID
EINECS
CAS No. 400750-49-4
Density 1.272 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₃NO₃
Boiling Point 325 °C at 760 mmHg
Molecular Weight 195.22
Flash Point 150.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 5-(Pyrrolidin-1-ylmethyl)furan-2-carboxylicacid;
PSA 53.68000
LogP 1.51150

2-Furancarboxylic acid,5-(1-pyrrolidinylmethyl)- Specification

The 2-Furancarboxylic acid, 5-(1-pyrrolidinylmethyl)-, with the CAS registry number 400750-49-4, is also known as 5-(Pyrrolidin-1-ylmethyl)-2-furoic acid. This chemical's molecular formula is C₁₀H₁₃NO₃ and molecular weight is 195.22. What's more, its IUPAC name is 5-(Pyrrolidin-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-pyrrolidinylmethyl)- are: (1)ACD/LogP: 0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.89; (4)ACD/LogD (pH 7.4): -1.94; (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: 1.571; (14)Molar Refractivity: 50.4 cm³; (15)Molar Volume: 153.4 cm³; (16)Polarizability: 19.98×10^-24 cm³; (17)Surface Tension: 54.3 dyne/cm; (18)Density: 1.272 g/cm³; (19)Flash Point: 150.3 °C; (20)Enthalpy of Vaporization: 59.86 kJ/mol; (21)Boiling Point: 325 °C at 760 mmHg; (22)Vapour Pressure: 9.68E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1oc(cc1)CN2CCCC2
(2) InChI: InChI=1/C10H13NO3/c12-10(13)9-4-3-8(14-9)7-11-5-1-2-6-11/h3-4H,1-2,5-7H2,(H,12,13)
(3) InChIKey: XMFACEUEFDPCDJ-UHFFFAOYAU

Product Name

5-PYRROLIDIN-1-YLMETHYL-FURAN-2-CARBOXYLIC ACID

2-Furancarboxylic acid,5-(1-pyrrolidinylmethyl)- Specification

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