L-Isoleucine ethyl ester hydrochloride supplier

Name
ethyl L-isoleucinate hydrochloride
EINECS 260-382-1
CAS No. 56782-52-6
Article Data1
CAS DataBase
Density
Solubility
Melting Point
Formula C₈H₁₈ClNO₂
Boiling Point 191.4 °C at 760mmHg
Molecular Weight 195.689
Flash Point 62.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L-Isoleucine,ethyl ester, hydrochloride (9CI);Ethyl L-isoleucinate hydrochloride;Isoleucine ethyl ester hydrochloride;
PSA 52.32000
LogP 2.42520

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

Product Name

ethyl L-isoleucinate hydrochloride

L-Isoleucine ethyl ester hydrochloride Specification

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