L-Asparagine

 L-Asparagine was first isolated in 1806, under a crystalline form, by French chemists Louis Nicolas Vauquelin and Pierre Jean Robiquet (then a young assistant) from asparagus juice, in which it is abundant -- hence the name they chose for that new matter -- becoming the first amino acid to be isolated. The characteristic smell observed in the urine of individuals after their consumption of asparagus is attributed to various metabolic byproducts of asparagine.
  A few years later, in 1809, Pierre Jean Robiquet again identified, this time from liquorice root, a substance with properties he qualified as very similar to those of asparagine, that Plisson in 1828 will confirm effectively as asparagine itself .

The L-Asparagine, with the CAS registry number 70-47-3, is also known as L-2,4-Diamino-4-oxobutanoic acid. It belongs to the product categories of Amino Acids Derivatives; Amino Acids and Derivatives; Amino Acids; Nutritional Supplements; Amino Acids. Its EINECS number is 200-735-9. This chemical's molecular formula is C₄H₈N₂O₃ and molecular weight is 132.12. What's more, its systematic name is L-Asparagine. This chemical is one of the 20 most common natural amino acids on Earth. It has carboxamide as the side-chain's functional group. It is a non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. It is biosynthesized from aspartic acid and ammonia by asparagine synthetase. This chemical should be stored in an airtight container that is away from light.

Physical properties of L-Asparagine are: (1)ACD/LogP: -1.88; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.37; (4)ACD/LogD (pH 7.4): -4.44; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 106.41 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 29.204 cm³; (15)Molar Volume: 94.039 cm³; (16)Polarizability: 11.577×10^-24cm³; (17)Surface Tension: 71.7 dyne/cm; (18)Density: 1.405 g/cm³; (19)Flash Point: 218.712 °C; (20)Enthalpy of Vaporization: 76.174 kJ/mol; (21)Boiling Point: 438.029 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by Boc-Asn(Boc)-ONBzl at the ambient temperature. This reaction will need reagent H₂ and solvent ethanol. This reaction will also need catalyst Pd-C (10percent). The yield is about 73%.

Uses of L-Asparagine: it can be used to produce N²-[(tert-butoxy)carbonyl]-L-asparagine at the temperature of 25 °C. It will need reagent Na₂CO₃ and solvents dioxane, H₂O. The yield is about 88%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: C([C@@H](C(=O)O)N)C(=O)N
(2)Std. InChI: InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
(3)Std. InChIKey: DCXYFEDJOCDNAF-REOHCLBHSA-N