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| CAS No.: | 328-39-2 |
|---|---|
| Name: | DL-2-Amino-4-methylpentanoic acid |
| Article Data: | 116 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H13NO2 |
| Molecular Weight: | 131.175 |
| Synonyms: | Leucine, DL- (8CI);NSC 9252;2-Amino-4-methylvaleric acid;Pentanoic acid, 2-amino-4-methyl-;Valeric acid, 2-amino-4-methyl-;α-Aminoisocaproic acid;α-Amino-γ-methylvaleric acid; |
| EINECS: | 206-328-2 |
| Density: | 1.036 g/cm3 |
| Melting Point: | 293-296 °C (subl.)(lit.) |
| Boiling Point: | 225.772 °C at 760 mmHg |
| Flash Point: | 90.344 °C |
| Solubility: | soluble in water |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xn
|
| Safety: | 22-24/25-36 |
| PSA: | 63.32000 |
| LogP: | 1.14470 |
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Consensus Reports
DL-Leucine is reported in EPA TSCA Inventory.
Specification
1. Introduction of DL-Leucine
DL-Leucine, with the systematic name of 2-amino-4-methylpentanoic acid, is one kind of white crystalline powder. It belongs to the following product categories: Amino Acid Derivatives; Leucine [Leu, L]; alpha-Amino Acids; Amino Acids; Biochemistry. The leucine is a kind of an essential amino acid which means that it can not synthesized in animals, hence it must be ingested, usually as a component of proteins. It is always used in the formation of sterols in adipose and muscle tissue. What's more, it is the only dietary protein that has the capacity to stimulate muscle protein synthesis, and L-Leucine is always used as a food additive.
2. Properties of DL-Leucine
The characteristics of DL-Leucine are as followings: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 63.32 Å2; (11)Index of Refraction: 1.463; (12)Molar Refractivity: 34.863 cm3; (13)Molar Volume: 126.632 cm3; (14)Polarizability: 13.821×10-24cm3; (15)Surface Tension: 39.002 dyne/cm; (16)Density: 1.036 g/cm3; (17)Flash Point: 90.344 °C; (18)Enthalpy of Vaporization: 50.93 kJ/mol; (19)Boiling Point: 225.772 °C at 760 mmHg; (20)Vapour Pressure: 0.031 mmHg at 25°C.
3. Structure Descriptors of DL-Leucine
You could convert the following datas into the molecular structure:
(1)SMILES: CC(C)CC(C(=O)O)N
(2)InChI: InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
(3)InChIKey: ROHFNLRQFUQHCH-UHFFFAOYAO
4. Preparation of DL-Leucine
Mixed 2-bromo-4-methylvaleric acid and strong aqua ammonia, then left to stand for 7 days, and you can get the product after filter.
5. Uses of DL-Leucine
DL-Leucine can react with di-pyridin-2-yl-methanone to produce 1-(2'-Pyridyl)-3-(2'-methyl)propyl-2-azaindolizine. This reaction will need reagent AcOH, and the menstruum methanol. The reaction time is 12 hours with heating, and the yield is about 56%.
6. Safety information of DL-Leucine
Hazard Codes: Xn
Safety Statements: 22-24/25-36
WGK Germany: 3
HS Code: 29224995
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Do not breathe dust, and avoid contact with skin and eyes.