N-Acetyl-L-alanine (97-69-8)

The IUPAC name of L-Alanine, N-acetyl- is 2-acetamidopropanoic acid. With the CAS registry number 97-69-8, it is also named as N-Acetyl-S-alanine. The product's categories are Amino Acids Derivatives; Amino Acids; Alanine [Ala, A]; N-Acetyl-Amino acid series; A - H; Amino Acids; Modified Amino Acids. It is white cyrstalline solid which is used in the immunodominant determinant of acidic surface antigen from culture filtrate of human strain of Staph aureus. Additionally, this chemical should be sealed in the container and stored at the temperature of 2-8 °C.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.19; (4)ACD/LogD (pH 7.4): -4.63; (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: 2; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 30.36 cm³; (15)Molar Volume: 112 cm³; (16)Polarizability: 12.03×10^-24 cm³; (17)Surface Tension: 40.9 dyne/cm; (18)Enthalpy of Vaporization: 67.7 kJ/mol; (19)Vapour Pressure: 1.77E-06 mmHg at 25°C; (20)Rotatable Bond Count: 2; (21)Tautomer Count: 2; (22)Exact Mass: 131.058243; (23)MonoIsotopic Mass: 131.058243; (24)Topological Polar Surface Area: 66.4; (25)Heavy Atom Count: 9; (26)Complexity: 132.

Uses of L-Alanine, N-acetyl-: It can react with methyl-(2-pyridin-2-yl-ethyl)-amine to get 2-acetylamino-N-methyl-N-(2-pyridin-2-yl-ethyl)-propionamide. This reaction needs reagent dicyclohexylcarbodiimide at temperature of 20 °C. The yield is 65%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing. 

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(NC(C(=O)O)C)C
2. InChI:InChI=1/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)
3. InChIKey:KTHDTJVBEPMMGL-UHFFFAOYAE