Leucine,N-[(4-methylphenyl)sulfonyl]-, methyl ester supplier

Name
METHYL 4-METHYL-2-([(4-METHYLPHENYL)SULFONYL]AMINO)PENTANOATE
EINECS
CAS No. 51220-84-9
Article Data19
CAS DataBase
Density 1.153 g/cm³
Solubility
Melting Point 54-56.5 °C
Formula C₁₄H₂₁NO₄S
Boiling Point 411.1 °C at 760 mmHg
Molecular Weight 299.391
Flash Point 202.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms DL-Leucine,N-[(4-methylphenyl)sulfonyl]-, methyl ester;Methyl 4-methyl-2-([(4-methylphenyl)sulfonyl]amino)pentanoate;Methyl N-[(4-methylphenyl)sulfonyl]leucinate;
PSA 80.85000
LogP 3.33270

Leucine,N-[(4-methylphenyl)sulfonyl]-, methyl ester Specification

The Leucine,N-[(4-methylphenyl)sulfonyl]-, methyl ester, with the CAS registry number 51220-84-9, is also known as Methyl 4-methyl-2-([(4-methylphenyl)sulfonyl]amino)pentanoate. This chemical's molecular formula is C₁₄H₂₁NO₄S and molecular weight is 299.39. What's more, its systematic name is Methyl N-[(4-methylphenyl)sulfonyl]leucinate.

Physical properties of Leucine,N-[(4-methylphenyl)sulfonyl]-, methyl ester are: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.29; (4)ACD/LogD (pH 7.4): 3.28; (5)ACD/BCF (pH 5.5): 186.38; (6)ACD/BCF (pH 7.4): 183.81; (7)ACD/KOC (pH 5.5): 1468.02; (8)ACD/KOC (pH 7.4): 1447.78; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 72.06 Å²; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 78.06 cm³; (15)Molar Volume: 259.5 cm³; (16)Polarizability: 30.94×10^-24cm³; (17)Surface Tension: 39.7 dyne/cm; (18)Density: 1.153 g/cm³; (19)Flash Point: 202.4 °C; (20)Enthalpy of Vaporization: 66.35 kJ/mol; (21)Boiling Point: 411.1 °C at 760 mmHg; (22)Vapour Pressure: 5.72E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)NC(C(=O)OC)CC(C)C
(2)InChI: InChI=1S/C14H21NO4S/c1-10(2)9-13(14(16)19-4)15-20(17,18)12-7-5-11(3)6-8-12/h5-8,10,13,15H,9H2,1-4H3
(3)InChIKey: ZUVVLBGWTRIOFH-UHFFFAOYSA-N

Product Name

METHYL 4-METHYL-2-([(4-METHYLPHENYL)SULFONYL]AMINO)PENTANOATE

Leucine,N-[(4-methylphenyl)sulfonyl]-, methyl ester Specification

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