(S)-Pyrrolidine-3-carboxylic acid supplier

Name
(3S)-3-Pyrrolidinecarboxylic acid
EINECS
CAS No. 72580-53-1
Article Data17
CAS DataBase
Density 1.186 g/cm³
Solubility Slightly soluble in water.
Melting Point 185-191℃
Formula C₅H₉NO₂
Boiling Point 252.2 °C at 760 mmHg
Molecular Weight 115.132
Flash Point 106.3 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 41
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Pyrrolidinecarboxylicacid, (S)-;(3S)-3-Pyrrolidinecarboxylic acid;(S)-3-Pyrrolidinecarboxylicacid;(S)-b-Proline;
PSA 49.33000
LogP 0.00930

(S)-Pyrrolidine-3-carboxylic acid Specification

The (S)-Pyrrolidine-3-carboxylic acid is an organic compound with the formula C₅H₉NO₂. The systematic name of this chemical is pyrrolidine-3-carboxylic acid. With the CAS registry number 72580-53-1, it is also named as 3-Pyrrolidinecarboxylic acid. The product's category is Pharmacetical.

Physical properties about (S)-Pyrrolidine-3-carboxylic acid are: (1)ACD/LogP: -0.47; (2)ACD/LogD (pH 5.5): -2.98; (3)ACD/LogD (pH 7.4): -2.97; (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: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 29.54 Å²; (12)Index of Refraction: 1.487; (13)Molar Refractivity: 27.9 cm³; (14)Molar Volume: 96.9 cm³; (15)Polarizability: 11.06×10^-24cm³; (16)Surface Tension: 43.4 dyne/cm; (17)Density: 1.186 g/cm³; (18)Flash Point: 106.3 °C; (19)Enthalpy of Vaporization: 53.9 kJ/mol; (20)Boiling Point: 252.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00615 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1CNCC1
(2)InChI: InChI=1/C5H9NO2/c7-5(8)4-1-2-6-3-4/h4,6H,1-3H2,(H,7,8)
(3)InChIKey: JAEIBKXSIXOLOL-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C5H9NO2/c7-5(8)4-1-2-6-3-4/h4,6H,1-3H2,(H,7,8)
(5)Std. InChIKey: JAEIBKXSIXOLOL-UHFFFAOYSA-N

Product Name

(3S)-3-Pyrrolidinecarboxylic acid

(S)-Pyrrolidine-3-carboxylic acid Specification

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