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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 | Hazard Symbols | N/A | |
Synonyms |
(S)-2-[(4-Tolylsulfonyl)amino]succinamicacid;N-Tosyl-L-asparagine;NSC 263141;p-Tosyl-L-asparagine; |
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