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2-Pyrrolidone-5-carboxylic acid sodium salt

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Name

2-Pyrrolidone-5-carboxylic acid sodium salt

EINECS 259-234-9
CAS No. 54571-67-4 Density 1.27
PSA 69.23000 LogP -1.65630
Solubility N/A Melting Point N/A
Formula C5H7NNaO3 Boiling Point 453.1 °C at 760 mmHg
Molecular Weight 151.09 Flash Point 227.8 °C
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 54571-67-4 (2-Pyrrolidone-5-carboxylic acid sodium salt) Hazard Symbols N/A
Synonyms

DL-Proline,5-oxo-, monosodium salt;Proline, 5-oxo-, monosodium salt (9CI);Ajidew N-50;DL-Sodium pyroglutamate;Nalidone;PCA Soda;Sodium DL-pyroglutamate;SodiumDL-pyrrolidonecarboxylate;Sodium PCA;

 

2-Pyrrolidone-5-carboxylic acid sodium salt Specification

The 2-Pyrrolidone-5-carboxylic acid sodium salt, with the CAS registry number 54571-67-4 and EINECS registry number 259-234-9, has the systematic name of sodium (2S)-5-oxopyrrolidine-2-carboxylate. It is a kind of clear colorless solution. And the molecular formula of the chemical is C5H7NNaO3. While dealing with this chemical, you had better avoid contact with skin and eyes.

The characteristics of 2-Pyrrolidone-5-carboxylic acid sodium salt are as followings: (1)ACD/LogP: -2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.43; (4)ACD/LogD (pH 7.4): -5.92; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 57.61 Å2; (13)Flash Point: 227.8 °C; (14)Enthalpy of Vaporization: 78.09 kJ/mol; (15)Boiling Point: 453.1 °C at 760 mmHg; (16)Vapour Pressure: 1.79E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].[O-]C(=O)[C@H]1NC(=O)CC1
(2)InChI: InChI=1/C5H7NO3.Na/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1/t3-;/m0./s1
(3)InChIKey: CRPCXAMJWCDHFM-SYBSRVMOBU

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