N-Tosyl-L-alanine 3-indoxyl ester supplier

Name
N-Tosyl-L-alanine 3-indoxyl ester
EINECS 278-064-6
CAS No. 75062-54-3
Density 1.339 g/cm³
Solubility
Melting Point 38-39oC
Formula C₁₈H₁₈N₂O₄S
Boiling Point 577.9 °C at 760 mmHg
Molecular Weight 358.4115
Flash Point 303.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-[(4-Methylphenyl)sulfonyl]-L-alanine 1H-indol-3-yl ester;
PSA 96.64000
LogP 4.22040

N-Tosyl-L-alanine 3-indoxyl ester Specification

The N-Tosyl-L-alanine 3-indoxyl ester, with the CAS registry number of 75062-54-3, is also known as N-[(4-Methylphenyl)sulfonyl]-L-alanine 1H-indol-3-yl ester. It belongs to the product categories of Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives. Its EINECS registry number is 278-064-6. This chemical's molecular formula is C₁₈H₁₈N₂O₄S and molecular weight is 358.41. What's more, its IUPAC name is 1H-Indol-3-yl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate.

Physical properties about the N-Tosyl-L-alanine 3-indoxyl ester are: (1) ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/LogD (pH 7.4): 3.71; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 96.64 Å²; (9)Index of Refraction: 1.634; (10)Molar Refractivity: 95.76 cm³; (11)Molar Volume: 267.6 cm³; (12)Surface Tension: 56.4 dyne/cm; (13)Density: 1.339 g/cm³; (14)Flash Point: 303.3 °C; (15)Enthalpy of Vaporization: 86.5 kJ/mol; (16)Boiling Point: 577.9 °C at 760 mmHg; (17)Vapour Pressure: 2.37E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:Cc1ccc(cc1)S(=O)(=O)N[C@@H](C)C(=O)Oc3cnc2ccccc23
(2) InChI:InChI=1/C18H18N2O4S/c1-12-7-9-14(10-8-12)25(22,23)20-13(2)18(21)24-17-11-19-16-6-4-3-5-15(16)17/h3-11,13,19-20H,1-2H3/t13-/m0/s1
(3) InChIKey:CBIVSVOVPJAVRE-ZDUSSCGKBO

Product Name

N-Tosyl-L-alanine 3-indoxyl ester

N-Tosyl-L-alanine 3-indoxyl ester Specification

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