DL-Valine ethyl ester hydrochloride

The DL-Valine ethyl ester hydrochloride, with the CAS registry number of 23358-42-1, is also known as DL-ValineethylesterHCl. It belongs to the product category of Amino Acids & Derivatives. Its EINECS registry number is 245-606-8. This chemical's molecular formula is C₇H₁₆ClNO₂ and molecular weight is 181.66. What's more, its systematic name is Ethyl L-valinate hydrochloride (1:1). In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, the storage place must be locked.

Physical properties about the DL-Valine ethyl ester hydrochloride are: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.56; (4)ACD/LogD (pH 7.4): 0.14; (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): 12.41; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å²; (13)Flash Point: 42.7 °C; (14)Enthalpy of Vaporization: 40.56 kJ/mol; (15)Boiling Point: 169.2 °C at 760 mmHg; (16)Vapour Pressure: 1.56 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-(2-Amino-benzoylamino)-3-methyl-butyric acid ethyl ester. This reaction needs reagent Et₃N. Meanwhile, it needs solvent Ethyl acetate. The reaction time is 2 hours. The yield is about 65 %.
When you are using this chemical, please be cautious about it as the following:
The dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES:2-(2-amino-benzoylamino)-3-methyl-butyric acid ethyl ester
(2) InChI:InChI=1/C7H15NO2.ClH/c1-4-10-7(9)6(8)5(2)3;/h5-6H,4,8H2,1-3H3;1H/t6-;/m0./s1
(3) InChIKey:PQGVTLQEKCJXKF-RGMNGODLBX