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37159-97-0

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Basic Information
CAS No.: 37159-97-0
Name: L-PROLINE-(4-3H(N))
Article Data: 445
Molecular Structure:
Molecular Structure of 37159-97-0 (L-PROLINE-(4-3H(N)))
Formula: C5H9NO2
Molecular Weight: 115.132
Synonyms: (S)-(-)-Proline;
Density: 1.186 g/cm3
Boiling Point: 252.187 °C at 760 mmHg
Flash Point: 106.319 °C
Hazard Symbols: RadioactiveR
Transport Information: UN 2910
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Specification

The L-Proline, labeled withtritium, with the CAS registry number of 37159-97-0, is also known as (S)-(-)-Proline. Its molecular formula is C5H9NO2 and molecular weight is 115.13. What's more, its IUPAC name is (2S)-Pyrrolidine-2-carboxylic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place. It can be obtained by sugar fermentation. In addition, it can be used as a nutritional supplements and flavor agent.

Physical properties about the L-Proline, labeled withtritium are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 49.33 Å2; (10)Index of Refraction: 1.487; (11)Molar Refractivity: 27.902 cm3; (12)Molar Volume: 96.998 cm3; (13)Surface Tension: 43.438 dyne/cm; (14)Density: 1.187 g/cm3; (15)Flash Point: 106.319 °C; (16)Enthalpy of Vaporization: 53.901 kJ/mol; (17)Boiling Point: 252.187 °C at 760 mmHg; (18)Vapour Pressure: 0.006 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C1C[C@H](NC1)C(=O)O
(2) InChI: InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
(3) InChIKey: ONIBWKKTOPOVIA-BYPYZUCNBZ