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Cas Database |
| Name |
L-Aspartic acid dibenzyl ester 4-toluenesulfonate |
EINECS | 220-746-2 |
| CAS No. | 2886-33-1 | Density | N/A |
| PSA | 141.37000 | LogP | 5.21340 |
| Solubility | N/A | Melting Point |
157-160 °C(lit.) |
| Formula | C18H19NO4.C7H8O3S | Boiling Point | 455.3 °C at 760 mmHg |
| Molecular Weight | 485.558 | Flash Point | 180.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 22-24/25 | Risk Codes | N/A |
| Molecular Structure |
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Hazard Symbols | N/A |
| Synonyms |
Dibenzyl 2-aminosuccinate 4-methylbenzenesulfonate;1,2-Bis(benzyloxycarbonyl)ethylammonium toluene-p-sulphonate;dibenzyl 2-aminobutanedioate; 4-methylbenzenesulfonic acid;Asp(OBzl)-OBzl.TosOH;Asp(obzl).obzl.tos;H-Asp(OBzl)-OBzl·TOS;H-Asp(OBzl)-OBzl TosOH;L-Asparticaciddibenzylester-p-toluenesulfonate; |
Article Data | 10 |
L-Aspartic acid dibenzyl ester 4-toluenesulfonate Specification
The IUPAC name of L-Aspartic acid dibenzyl ester 4-toluenesulfonate is dibenzyl 2-aminobutanedioate; 4-methylbenzenesulfonic acid . With the CAS registry number 2886-33-1, it is also named as 1,2-Bis(benzyloxycarbonyl)ethylammonium toluene-p-sulphonate ; Dibenzyl L-aspartate 4-methylbenzenesulfonate (1:1) ; L-Aspartic acid dibenzyl ester p-toluenesulfonate ; L-Aspartic acid, bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1) ; 1,2-bis(benzyloxycarbonyl)ethylammonium toluene-p-sulphonate .
The L-Aspartic acid dibenzyl ester 4-toluenesulfonate should be stored at the temperature of -20°C and sealed in the container. The product's categories are Amino Acids Derivatives, Amino Acids, Aspartic acid [Asp, D], Aspartic Acid and Peptide Synthesis. This product is toxic if swallowed . People should not breathe dust and must avoid contact with skin and eyes.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.39 ; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 5 ; (4)#H bond donors: 2 ; (5)#Freely Rotating Bonds: 10 ; (6)Enthalpy of Vaporization: 71.5 kJ/mol ; (7)Vapour Pressure: 1.78E-08 mmHg at 25°C ; (8)Rotatable Bond Count: 10 ; (9)Exact Mass: 485.150823 ; (10)MonoIsotopic Mass: 485.150823 ; (11)Topological Polar Surface Area: 141 ; (12)Heavy Atom Count: 34 ; (13)Complexity: 580 ; (14)Undefined Atom StereoCenter Count: 1 ; (15)Covalently-Bonded Unit Count: 2.
People can use the following data to convert to the molecule structure. SMILES: O=S(=O)(O)c1ccc(cc1)C.O=C(OCc1ccccc1)C[C@@H](C(=O)OCc2ccccc2)N; InChI: InChI=1/C18H19NO4.C7H8O3S/c19-16(18(21)23-13-15-9-5-2-6-10-15)11-17(20)22-12-14-7-3-1-4-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,16H,11-13,19H2;2-5H,1H3,(H,8,9,10)/t16-;/m0./s1.
The L-Aspartic acid dibenzyl ester 4-toluenesulfonate has many suppliers, such as GL Biochem (Shanghai) Ltd., Chengdu Chengnuo New-Tech Co., Ltd., Chengdu Fucheng Fine Chemicals Co., Ltd., Dalian Bio Integration Technology, Inc, Nantong EKO Fashion Co., Ltd., Richu China Co., Ltd. and SIAM Chemicals, Inc..
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