CAS No.88224-02-6,H-Val-allyl ester p-tosylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	88224-02-6
Name:	H-Val-allyl ester p-tosylate
Article Data:	3

Formula:	C₁₅H₂₃NO₅S
Molecular Weight:	329.417
Synonyms:	L-Valine allyl ester p-toluenesulfonate;L-Valine allyl ester p-toluenesulfonate salt;prop-2-enyl (2S)-2-amino-3-methylbutanoate, 4-methylbenzenesulfonic acid;
Melting Point:	117-120 °C
Boiling Point:	200.1 °C at 760 mmHg
Flash Point:	70.7 °C
Safety:	22-24/25
PSA:	115.07000
LogP:	3.72170

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Specification

The H-Val-allyl ester p-tosylate, with the CAS registry number 88224-02-6, is also known as L-Valine allyl ester p-toluenesulfonate. It belongs to the product categories of Classes of Amino Acid Derivatives; Peptide Synthesis; Valine. This chemical's molecular formula is C₁₅H₂₃NO₅S and molecular weight is 329.41. What's more, its systematic name is (2S)-3-methyl-1-oxo-1-(prop-2-en-1-yloxy)butan-2-aminium 4-methylbenzenesulfonate.

Physical properties of H-Val-allyl ester p-tosylate are: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 1; (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): 29; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å²; (13)Flash Point: 70.7 °C; (14)Enthalpy of Vaporization: 43.63 kJ/mol; (15)Boiling Point: 200.1 °C at 760 mmHg; (16)Vapour Pressure: 0.329 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It should be protected from dust and stored at the temperature of 2-8°C. When using it, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S([O-])(=O)c1ccc(cc1)C.O=C(OC\C=C)[C@@H]([NH3+])C(C)C
(2)Std. InChI: InChI=1S/C8H15NO2.C7H8O3S/c1-4-5-11-8(10)7(9)6(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h4,6-7H,1,5,9H2,2-3H3;2-5H,1H3,(H,8,9,10)/t7-;/m0./s1
(3)Std. InChIKey: HSIRKDASFUCGOZ-FJXQXJEOSA-N