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Tosyl-L-Asparagine

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Name

Tosyl-L-Asparagine

EINECS N/A
CAS No. 36212-66-5 Density 1.419g/cm3
PSA 134.94000 LogP 1.77390
Solubility N/A Melting Point 169-170 °C dec.
Formula C11H14N2O5S Boiling Point 583.6°C at 760 mmHg
Molecular Weight 286.309 Flash Point 306.8°C
Transport Information N/A Appearance White solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 36212-66-5 (TOSYL-L-ASPARAGINE) Hazard Symbols N/A
Synonyms

(S)-2-[(4-Tolylsulfonyl)amino]succinamicacid;N-Tosyl-L-asparagine;NSC 263141;p-Tosyl-L-asparagine;

 

Tosyl-L-Asparagine Specification

The L-Asparagine,N2-[(4-methylphenyl)sulfonyl]-, with the CAS registry number 36212-66-5, is also known as 2-(Toluene-4-sulfonylamino)-succinamic acid. It belongs to the product categories of Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives. This chemical's molecular formula is C11H14N2O5S and molecular weight is 286.3. What's more, its IUPAC name is 4-Amino-2-[(4-methylphenyl)sulfonylamino]-4-oxobutanoic acid. It is white solid.

Physical properties about L-Asparagine,N2-[(4-methylphenyl)sulfonyl]- are: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 92.37 Å2; (11)Index of Refraction: 1.586; (12)Molar Refractivity: 67.73 cm3; (13)Molar Volume: 201.6 cm3; (14)Surface Tension: 61.7 dyne/cm; (15)Density: 1.419 g/cm3; (16)Flash Point: 306.8 °C; (17)Enthalpy of Vaporization: 91.75 kJ/mol; (18)Boiling Point: 583.6 °C at 760 mmHg; (19)Vapour Pressure: 1.83E-14 mmHg at 25 °C; (20)Melting Point: 169-170 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)N)C(=O)O
(2) InChI: InChI=1S/C11H14N2O5S/c1-7-2-4-8(5-3-7)19(17,
18)13-9(11(15)16)6-10(12)14/h2-5,9,13H,6H2,1H3,(H2,12,14)(H,15,16)
(3) InChIKey: VZCCSZRICJFBSI-UHFFFAOYSA-N

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