O-Benzyl-DL-alanine toluene-p-sulphonate supplier

Name
O-Benzyl-DL-alanine toluene-p-sulphonate
EINECS 252-538-2
CAS No. 35386-78-8
Article Data2
CAS DataBase
Density
Solubility
Melting Point
Formula C₁₇H₂₁NO₅S
Boiling Point 256.5 °C at 760 mmHg
Molecular Weight 351.423
Flash Point 119.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzyl L-alaninate 4-methylbenzenesulfonate;Benzyl L-alaninate 4-methylbenzenesulfonate (1:1);L-Alanine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1);L-Alaninebenzylester4-toluenesulfonate;4-Methylbenzene-1-sulfonic acid; benzyl (2S)-2-aminopropanoate;L-Ala-Obel.TsOH;
PSA 115.07000
LogP 4.09980

O-Benzyl-DL-alanine toluene-p-sulphonate Specification

The O-Benzyl-DL-alanine toluene-p-sulphonate, with the CAS registry number 35386-78-8, is also known as L-Alaninebenzylester4-toluenesulfonate. Its EINECS number is 252-538-2. This chemical's molecular formula is C₁₇H₂₁NO₅S and molecular weight is 351.41. What's more, its systematic name is benzyl L-alaninate 4-methylbenzenesulfonate.

Physical properties of O-Benzyl-DL-alanine toluene-p-sulphonate are: (1)ACD/LogP: 1.30; (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: 119.6 °C; (8)Enthalpy of Vaporization: 49.4 kJ/mol; (9)Boiling Point: 256.5 °C at 760 mmHg; (10)Vapour Pressure: 0.0154 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1ccc(cc1)C.O=C(OCc1ccccc1)[C@@H](N)C
(2)InChI: InChI=1S/C10H13NO2.C7H8O3S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,8H,7,11H2,1H3;2-5H,1H3,(H,8,9,10)/t8-;/m0./s1
(3)InChIKey: NWOPHJSSBMABBD-QRPNPIFTSA-N

Product Name

O-Benzyl-DL-alanine toluene-p-sulphonate

O-Benzyl-DL-alanine toluene-p-sulphonate Specification

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