pyrrolidine-1-butyric acid

The 1-Pyrrolidinebutanoicacid, with the CAS registry number 85614-44-4 , is also known as Pyrrolidine-1-butyric acid. Its EINECS registry number is 287-930-2. This chemical's molecular formula is C₈H₁₅NO₂ and molecular weight is 157.2102. What's more, both its IUPAC name and systematic name are the same which is called 4-Pyrrolidin-1-ylbutanoic acid.

Physical properties about 1-Pyrrolidinebutanoicacid are: (1) ACD/LogP: 0.57; (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: 4; (10) Polar Surface Area: 40.54 Å²; (11) Index of Refraction: 1.493; (12) Molar Refractivity: 42.17 cm³; (13) Molar Volume: 144.99 cm³; (14) Surface Tension: 42.111 dyne/cm; (15) Density: 1.084 g/cm³; (16) Flash Point: 129.348 °C; (17) Enthalpy of Vaporization: 58.27 kJ/mol; (18) Boiling Point: 290.266 °C at 760 mmHg; (19) Vapour Pressure: 0.001 mmHg at 25 °C.

Uses of 1-Pyrrolidinebutanoicacid: it is used to produce other chemicals. For example, it is used to produce (1-Hydroxy-1-phosphono-4-pyrrolidin-1-yl-butyl)-phosphonic acid;

This reaction needs reagent H₃PO₄, PCl₃ and solvent Chlorobenzene at temperature of 100-110 °C. The reaction time is 3 hours. The yield is 75 %.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)CCCN1CCCC1
(2) InChI: InChI=1/C8H15NO2/c10-8(11)4-3-7-9-5-1-2-6-9/h1-7H2,(H,10,11)
(3) InChIKey: NYSUFKYXLDNHQN-UHFFFAOYAJ