3-Amino-4-butan-2-yl-2-(4-methylphenyl)sulfonyl-1,2-oxazol-5-one supplier

Name
3-amino-4-(butan-2-yl)-2-[(4-methylphenyl)sulfonyl]-1,2-oxazol-5(2H)-one
EINECS
CAS No. 6940-73-4
Density 1.313 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₈N₂O₄S
Boiling Point 432.232 °C at 760 mmHg
Molecular Weight 310.10
Flash Point 215.206 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Isoxazolin-5-one,3-amino-4-sec-butyl-2-(p-tolylsulfonyl)- (7CI);NSC 60183;
PSA
LogP

3-Amino-4-butan-2-yl-2-(4-methylphenyl)sulfonyl-1,2-oxazol-5-one Specification

The 5(2H)-Isoxazolone,3-amino-2-[(4-methylphenyl)sulfonyl]-4-(1-methylpropyl)-, with the CAS registry number 6940-73-4, is also known as 3-Amino-4-sec-butyl-2-[(4-methylphenyl)sulfonyl]-1,2-oxazol-5(2H)-one. This chemical's molecular formula is C₁₄H₁₈N₂O₄S and molecular weight is 310.10. What's more, its IUPAC name is called 3-Amino-4-butan-2-yl-2-(4-methylphenyl)sulfonyl-1,2-oxazol-5-one.

Physical properties about 5(2H)-Isoxazolone,3-amino-2-[(4-methylphenyl)sulfonyl]-4-(1-methylpropyl)- are: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 32.41; (6)ACD/BCF (pH 7.4): 32.41; (7)ACD/KOC (pH 5.5): 419.71; (8)ACD/KOC (pH 7.4): 419.74; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 98.08 Å²; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 79.358 cm³; (15)Molar Volume: 236.323 cm³; (16)Surface Tension: 51.23 dyne/cm; (17)Density: 1.313 g/cm³; (18)Flash Point: 215.206 °C; (19)Enthalpy of Vaporization: 68.799 kJ/mol; (20)Boiling Point: 432.232 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(N1OC(=O)\C(=C1\N)C(C)CC)c2ccc(cc2)C
(2) InChI: InChI=1S/C14H18N2O4S/c1-4-10(3)12-13(15)16(20-14(12)17)21(18,19)11-7-5-9(2)6-8-11/h5-8,10H,4,15H2,1-3H3
(3) InChIKey: JIIAFFKUKJAABZ-UHFFFAOYSA-N

Product Name

3-amino-4-(butan-2-yl)-2-[(4-methylphenyl)sulfonyl]-1,2-oxazol-5(2H)-one

3-Amino-4-butan-2-yl-2-(4-methylphenyl)sulfonyl-1,2-oxazol-5-one Specification

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