L-Isoleucine allyl ester p-toluenesulfonate salt supplier

Name
L-Isoleucine allyl ester p-toluenesulfonate salt
EINECS
CAS No. 88224-05-9
Density
Solubility
Melting Point
Formula C₉H₁₇NO₂^.C₇H₈O₃S
Boiling Point 487.3 °C at 760 mmHg
Molecular Weight 343.444
Flash Point 248.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms H-lle-OAll TosOH;H-Ile-OAll·TosOH;
PSA 115.07000
LogP 4.11180

L-Isoleucine allyl ester p-toluenesulfonate salt Specification

The L-Isoleucine allyl ester p-toluenesulfonate salt, with the CAS registry number 88224-05-9, is also known as H-Ile-OAll·TosOH. It belongs to the product categories of Isoleucine [Ile, I]; Amino Acids and Derivatives; Amino Acids; I - Z and Modified Amino Acids. This chemical's molecular formula is C₁₆H₂₅NO₅S and molecular weight is 343.44. What's more, its IUPAC name is 4-Methylbenzenesulfonic acid; Prop-2-enyl 2-amino-3-methylpentanoate and systematic name is called Allyl (2S,3S)-2-amino-3-methyl-pentanoate; 4-Methylbenzenesulfonic acid.

Physical properties about L-Isoleucine allyl ester p-toluenesulfonate salt are: (1) ACD/LogP: 2.74; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.24; (4) ACD/LogD (pH 7.4): 0.14; (5) #H bond acceptors: 6; (6)#H bond donors: 3; (7) #Freely Rotating Bonds: 8; (8) Polar Surface Area: 115.07 Å²; (9) Flash Point: 248.5 °C; (10) Enthalpy of Vaporization: 79.33 kJ/mol; (11) Boiling Point: 487.3 °C at 760 mmHg; (12) Vapour Pressure: 2.61E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(O)(=O)c1ccc(C)cc1.C[C@@H](CC)[C@H](N)C(=O)OCC=C
(2) InChI: InChI=1/C9H17NO2.C7H8O3S/c1-4-6-12-9(11)8(10)7(3)5-2;1-6-2-4-7(5-3-6)11(8,9)10/h4,7-8H,1,5-6,10H2,2-3H3;2-5H,1H3,(H,8,9,10)/t7-,8-;/m0./s1
(3) InChIKey: KLSHVPHGOQRRIE-WSZWBAFRBH

Product Name

L-Isoleucine allyl ester p-toluenesulfonate salt

L-Isoleucine allyl ester p-toluenesulfonate salt Specification

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