N-Benzyl-L-Proline supplier | CasNO.31795-93-4

Name
N-Benzyl-L-Proline
EINECS
CAS No. 31795-93-4
Article Data29
CAS DataBase
Density 1.205 g/cm³
Solubility
Melting Point 168-171oC
Formula C₁₂H₁₅NO₂
Boiling Point 343.1 °C at 760 mmHg
Molecular Weight 205.257
Flash Point 161.3 °C
Transport Information
Appearance white solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms N-Benzyl-S-proline;N-Benzyl-L-proline;5: PN: WO03037338 PAGE: 46 claimedprotein;56: PN:WO03037338 PAGE: 44 claimed protein;(S)-Benzylproline;(2S)-1-Benzylpyrrolidin-2-ylcarboxylic acid;Proline, 1-benzyl-, L- (8CI);Proline,1-benzyl- (6CI,7CI);1-benzylproline;1-benzylpyrrolidine-2-carboxylic acid;Proline, 1-(phenylmethyl)-;
PSA 40.54000
LogP 1.67350

N-Benzyl-L-Proline Specification

The L-Proline,1-(phenylmethyl)-, with the CAS registry number 31795-93-4, has the systematic name of 1-benzylproline. It is a kind of white solid, and belongs to the following product categories: Pharmacetical; Amino Acid Derivatives; Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives; Chiral Reagents. And the molecular formula of the chemical is C₁₂H₁₅NO₂. What's more, it always used as a reagent for the synthesis of optically pure a-amino-acids.

The characteristics of L-Proline,1-(phenylmethyl)- are as followings: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.15; (4)ACD/LogD (pH 7.4): -1.15; (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.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C2N(Cc1ccccc1)CCC2
(2)InChI: InChI=1/C12H15NO2/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,15)
(3)InChIKey: XNROFTAJEGCDCT-UHFFFAOYAJ

Product Name

N-Benzyl-L-Proline

N-Benzyl-L-Proline Specification

Related Products

Hot Products