1-Pyrrolidinecarboxylicacid, 4-hydroxy-2-(hydroxymethyl)-, phenylmethyl ester, (2S,4S)- supplier

Name
（2s，4s）-benzyl-4-hydroxy-2-（hydroxymethyl）pyrrolidine..
EINECS
CAS No. 942308-58-9
Article Data5
CAS DataBase
Density 1.298 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₇NO₄
Boiling Point 433.897 °C at 760 mmHg
Molecular Weight 251.282
Flash Point 216.214 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2S,4S)-1-(Benzyloxycarbonyl)-2-hydroxymethyl-4-hydroxypyrrolidine;Benzyl (2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate;
PSA 43.70000
LogP 0.55200

1-Pyrrolidinecarboxylicacid, 4-hydroxy-2-(hydroxymethyl)-, phenylmethyl ester, (2S,4S)- Specification

The CAS registry number of 1-Pyrrolidinecarboxylicacid,4-hydroxy-2-(hydroxymethyl)-,phenylmethyl ester,(2S,4S)- is 942308-58-9. The systematic name is benzyl (2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate. In addition, the molecular formula is C₁₃H₁₇NO₄ and the molecular weight is 251.28.

Physical properties about 1-Pyrrolidinecarboxylicacid,4-hydroxy-2-(hydroxymethyl)-,phenylmethyl ester,(2S,4S)- are: (1)ACD/LogP: 0.58; (2)ACD/LogD (pH 5.5): 0.584; (3)ACD/LogD (pH 7.4): 0.584; (4)ACD/BCF (pH 5.5): 1.635; (5)ACD/BCF (pH 7.4): 1.635; (6)ACD/KOC (pH 5.5): 49.49; (7)ACD/KOC (pH 7.4): 49.49; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 70 Å²; (12)Index of Refraction: 1.589; (13)Molar Refractivity: 65.27 cm³; (14)Molar Volume: 193.65 cm³; (15)Polarizability: 25.875 ×10^-24cm³; (16)Surface Tension: 58.868 dyne/cm; (17)Density: 1.298 g/cm³; (18)Flash Point: 216.214 °C; (19)Enthalpy of Vaporization: 72.722 kJ/mol; (20)Boiling Point: 433.897 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)COC(=O)N2C[C@H](C[C@H]2CO)O
(2)InChI: InChI=1/C13H17NO4/c15-8-11-6-12(16)7-14(11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,15-16H,6-9H2/t11-,12-/m0/s1
(3)InChIKey: WDEQGLDWZMIMJM-RYUDHWBXBM

Product Name

（2s，4s）-benzyl-4-hydroxy-2-（hydroxymethyl）pyrrolidine..

1-Pyrrolidinecarboxylicacid, 4-hydroxy-2-(hydroxymethyl)-, phenylmethyl ester, (2S,4S)- Specification

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