Product Name

  • Name

    (3S,4R)-4-(3-METHOXYPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID

  • EINECS
  • CAS No. 937692-64-3
  • Density 1.194 g/cm3
  • Solubility
  • Melting Point
  • Formula C12H15NO3
  • Boiling Point 406.1 °C at 760 mmHg
  • Molecular Weight 221.25
  • Flash Point 199.4 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 937692-64-3 ((3S,4R)-4-(3-METHOXYPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID)
  • Hazard Symbols
  • Synonyms (3S,4R)-4-(3-METHOXYPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID;((3S,4R)-4-(4-METHOXYPHENYL)PYRROLIDIN-3-YL)METHANOL
  • PSA 58.56000
  • LogP 1.41160

(3S,4R)-4-(3-Methoxyphenyl)pyrrolidine-3-carboxylic acid Specification

The (3S,4R)-4-(3-Methoxyphenyl)pyrrolidine-3-carboxylic acid is an organic compound with the formula C12H15NO3. The systematic name of this chemical is (3S,4R)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid. With the CAS registry number 937692-64-3, it is also named as 3-pyrrolidinecarboxylic acid, 4-(3-methoxyphenyl)-, (3S,4R)-.

Physical properties about (3S,4R)-4-(3-Methoxyphenyl)pyrrolidine-3-carboxylic acid are: (1)ACD/LogP: 1.04; (2)ACD/LogD (pH 5.5): -1.47; (3)ACD/LogD (pH 7.4): -1.46; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 38.77 Å2; (12)Index of Refraction: 1.55; (13)Molar Refractivity: 59.02 cm3; (14)Molar Volume: 185.1 cm3; (15)Polarizability: 23.39×10-24cm3; (16)Surface Tension: 44.9 dyne/cm; (17)Density: 1.194 g/cm3; (18)Flash Point: 199.4 °C; (19)Enthalpy of Vaporization: 69.36 kJ/mol; (20)Boiling Point: 406.1 °C at 760 mmHg; (21)Vapour Pressure: 2.53E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]2[C@H](c1cc(OC)ccc1)CNC2
(2)InChI: InChI=1/C12H15NO3/c1-16-9-4-2-3-8(5-9)10-6-13-7-11(10)12(14)15/h2-5,10-11,13H,6-7H2,1H3,(H,14,15)/t10-,11+/m0/s1
(3)InChIKey: DPBJZZNRRNSKIH-WDEREUQCBP
(4)Std. InChI: InChI=1S/C12H15NO3/c1-16-9-4-2-3-8(5-9)10-6-13-7-11(10)12(14)15/h2-5,10-11,13H,6-7H2,1H3,(H,14,15)/t10-,11+/m0/s1
(5)Std. InChIKey: DPBJZZNRRNSKIH-WDEREUQCSA-N

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