1-Pyrrolidineaceticacid (37386-15-5)

The Pyrrolidin-1-ylacetic acid with the cas number 37386-15-5 is also called N-Pyrrolidinoacetic acid. The IUPAC name is 2-pyrrolidin-1-ylacetic acid. Its molecular formula is C₆H₁₁NO₂. This chemical is irritant. When you are using this chemical, please be cautious about it.

The properties of the chemical are: (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 29.54 Å²; (11)Index of Refraction: 1.499; (12)Molar Refractivity: 32.9 cm³; (13)Molar Volume: 111.9 cm³; (14)Polarizability: 13.04×10^-24cm³; (15)Surface Tension: 44.4 dyne/cm ; (16)Enthalpy of Vaporization: 51.83 kJ/mol; (17)Vapour Pressure: 0.019 mmHg at 25°C.

Preparation: This chemical can be prepared by pyrrolidin-1-yl-acetic acid ethyl ester. This reaction needs reagent NaOH and solvent H₂O at heating condition. The yield is 37%.

Uses: This chemical can prepare (1-oxy-pyrrolidin-1-yl)-acetic acid. This reaction needs reagent 30percent H₂O₂ and solvent acetic acid at temperature of 60 °C. The reaction time is 12 hours. The yield is 38%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CN1CCCC1
(2)InChI: InChI=1/C6H11NO2/c8-6(9)5-7-3-1-2-4-7/h1-5H2,(H,8,9)
(3)InChIKey: IPXNXMNCBXHYLQ-UHFFFAOYAG