- L-Isoleucine
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- L-Isoleucine ethyl ester hydrochloride
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Cas Database |
| Name |
L-Isoleucine ethyl ester hydrochloride |
EINECS | 260-382-1 |
| CAS No. | 56782-52-6 | Density | N/A |
| PSA | 52.32000 | LogP | 2.42520 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H18ClNO2 | Boiling Point | 191.4 °C at 760mmHg |
| Molecular Weight | 195.689 | Flash Point | 62.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
L-Isoleucine,ethyl ester, hydrochloride (9CI);Ethyl L-isoleucinate hydrochloride;Isoleucine ethyl ester hydrochloride; |
Article Data | 1 |
L-Isoleucine ethyl ester hydrochloride Specification
The L-Isoleucine, ethylester, hydrochloride (1:1), with the CAS registry number 56782-52-6, is also known as Ethyl L-isoleucinate hydrochloride. Its EINECS registry number is 260-382-1. This chemical's molecular formula is C8H18ClNO2 and molecular weight is 195.68702. What's more, its IUPAC name is Ethyl (2S,3S)-2-amino-3-methylpentanoate hydrochloride and systematic name is called Ethyl L-isoleucinate hydrochloride.
Physical properties about L-Isoleucine, ethylester, hydrochloride (1:1) are: (1) ACD/LogP: 1.46; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 2; (5) #Freely Rotating Bonds: 6; (6) Polar Surface Area: 52.32 Å2; (7) Flash Point: 94.5 °C; (8) Enthalpy of Vaporization: 47.89 kJ/mol; (9) Boiling Point: 232.6 °C at 760 mmHg; (10) Vapour Pressure: 0.0473 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.N[C@@H](C(C)CC)C(=O)OCC
(2) InChI: InChI=1/C8H17NO2.ClH/c1-4-6(3)7(9)8(10)11-5-2;/h6-7H,4-5,9H2,1-3H3;1H/t6?,7-;/m0./s1
(3) InChIKey: QQGRWNMNWONMOO-JWOPXBRZBC
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