(3R)-1-(Phenylmethyl)-3-pyrrolidinecarboxylic acid supplier

Name
(R)-1-N-BENZYL-BETA-PROLINE
EINECS
CAS No. 216311-57-8
Article Data9
CAS DataBase
Density 1.205 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅NO₂
Boiling Point 343.1 °C at 760 mmHg
Molecular Weight 205.257
Flash Point 161.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (R)-1-N-Benzyl-beta-proline;
PSA 40.54000
LogP 1.53100

(3R)-1-(Phenylmethyl)-3-pyrrolidinecarboxylic acid Specification

The 3-Pyrrolidinecarboxylicacid, 1-(phenylmethyl)-, (3R)-, with CAS registry number 216311-57-8, has the systematic name of (3R)-1-benzylpyrrolidine-3-carboxylic acid. Besides this, it is also called (R)-1-N-Benzyl-beta-proline. And the chemical formula of this chemical is C₁₂H₁₅NO₂.

Physical properties of 3-Pyrrolidinecarboxylicacid, 1-(phenylmethyl)-, (3R)-: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.1; (4)ACD/LogD (pH 7.4): -1.11; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 57.28 cm³; (15)Molar Volume: 170.3 cm³; (16)Polarizability: 22.71×10^-24cm³; (17)Surface Tension: 53.6 dyne/cm; (18)Density: 1.205 g/cm³; (19)Flash Point: 161.3 °C; (20)Enthalpy of Vaporization: 61.94 kJ/mol; (21)Boiling Point: 343.1 °C at 760 mmHg; (22)Vapour Pressure: 2.76E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]2CN(Cc1ccccc1)CC2
(2)InChI: InChI=1/C12H15NO2/c14-12(15)11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)/t11-/m1/s1
(3)InChIKey: RLRDUQNUBMAYDS-LLVKDONJBP
(4)Std. InChI: InChI=1S/C12H15NO2/c14-12(15)11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)/t11-/m1/s1
(5)Std. InChIKey: RLRDUQNUBMAYDS-LLVKDONJSA-N

Product Name

(R)-1-N-BENZYL-BETA-PROLINE

(3R)-1-(Phenylmethyl)-3-pyrrolidinecarboxylic acid Specification

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