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CAS No.: | 5845-53-4 |
---|---|
Name: | D-Leucine methyl ester hydrochloride |
Article Data: | 37 |
Molecular Structure: | |
Formula: | C7H15NO2.HCl |
Molecular Weight: | 181.663 |
Synonyms: | H-D-Leu-OMe·HCl;H-D-LEU-OME HCL;D-Leucine Methyl Ester HCl;H-D-Leu-OMe?HCl;D-Leu-OMe?HCl;D-Leu-OMe.HCl;methyl 2-amino-4-methyl-pentanoate;[(1R)-1-methoxycarbonyl-3-methyl-butyl]azanium; |
EINECS: | 1312995-182-4 |
Density: | 0.955 g/cm3 |
Melting Point: | 150 °C |
Boiling Point: | 169.2 °C at 760 mmHg |
Flash Point: | 42.7 °C |
Solubility: | soluble in water |
Safety: | 24/25 |
PSA: | 52.32000 |
LogP: | 2.03510 |
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The D-Leucine methyl ester hydrochloride, with the CAS registry number 5845-53-4, is also known as H-D-Leu-Ome HCl. It belongs to the product categories of Amino Acids; Amino Acid Methyl Esters; Amino Acids (C-Protected); Biochemistry; Amino Hydrochloride. This chemical's molecular formula is C7H16ClNO2 and molecular weight is 181.66. What's more, its systematic name is called Methyl D-leucinate hydrochloride (1:1). It should be stored in a cool, dry and well-ventilated place. When you are dealing with this chemical, you should avoid contacting with skin and eyes.
Physical properties about D-Leucine methyl ester hydrochloride are: (1)ACD/LogP: 0.925; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 29.54 Å2; (7)Flash Point: 42.7 °C; (8)Enthalpy of Vaporization: 40.56 kJ/mol; (9)Boiling Point: 169.2 °C at 760 mmHg; (10)Vapour Pressure: 1.56 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.O=C(OC)[C@H](N)CC(C)C
(2) InChI: InChI=1S/C7H15NO2.ClH/c1-5(2)4-6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H/t6-;/m1./s1
(3) InChIKey: DODCBMODXGJOKD-FYZOBXCZSA-N