D,L-Aspartic Acid Dibenzyl Ester-p-Toluenesulfonate supplier

Name
D,L-Aspartic Acid Dibenzyl Ester-p-Toluenesulfonate
EINECS
CAS No. 4079-62-3
Article Data2
CAS DataBase
Density
Solubility
Melting Point
Formula C₂₅H₂₇NO₇S
Boiling Point 455.3 °C at 760 mmHg
Molecular Weight 485.558
Flash Point 180.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aspartic acid, bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1);Dibenzyl aspartate 4-methylbenzenesulfonate (1:1);1,4-Bis(benzyloxy)-1,4-dioxobutan-2-aminium 4-methylbenzenesulfonate;1,4-dibenzyl 2-aminobutanedioate; 4-methylbenzene-1-sulfonic acid;2-Amino-succinic acid dibenzyl ester, p-tosylate;
PSA 78.62000
LogP 2.89090

D,L-Aspartic Acid Dibenzyl Ester-p-Toluenesulfonate Specification

The CAS register number of D,L-Aspartic Acid Dibenzyl Ester-p-Toluenesulfonate is 4079-62-3. It also can be called as Aspartic acid, bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1) and the systematic name about this chemical is dibenzyl aspartate 4-methylbenzenesulfonate (1:1). The molecular formula about this chemical is C₂₅H₂₇NO₇S and the molecular weight is 485.55.

Physical properties about D,L-Aspartic Acid Dibenzyl Ester-p-Toluenesulfonate are: (1)ACD/LogP: 3.39; (2)ACD/LogD (pH 5.5): 2.94; (3)ACD/LogD (pH 7.4): 3.38; (4)ACD/BCF (pH 5.5): 78.33; (5)ACD/BCF (pH 7.4): 218.12; (6)ACD/KOC (pH 5.5): 586.21; (7)ACD/KOC (pH 7.4): 1632.28; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 10; (11)Polar Surface Area: 55.84Å²; (12)Flash Point: 180.6 °C; (13)Enthalpy of Vaporization: 71.5 kJ/mol; (14)Boiling Point: 455.3 °C at 760 mmHg; (15)Vapour Pressure: 1.78E-08 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)CC(C(=O)OCc2ccccc2)N
(2)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)
(3)InChIKey: HLMUYZYLPUHSNV-UHFFFAOYAH
(4)Std. InChI: InChI=1S/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)
(5)Std. InChIKey: HLMUYZYLPUHSNV-UHFFFAOYSA-N

Product Name

D,L-Aspartic Acid Dibenzyl Ester-p-Toluenesulfonate

D,L-Aspartic Acid Dibenzyl Ester-p-Toluenesulfonate Specification

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