CAS No.87344-05-6,Tolmetin glycinamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	87344-05-6
Name:	Tolmetin glycinamide

Formula:	C₁₇H₁₈N₂O₄
Molecular Weight:	314.341
Synonyms:	Glycine,N-[[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetyl]- (9CI);MED 5;McN4366;Tolmetin glycine amide;
Density:	1.24 g/cm³
Boiling Point:	647.7 °C at 760 mmHg
Flash Point:	345.5 °C
PSA:	88.40000
LogP:	1.69870

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Specification

The Tolmetin glycinamide with the CAS number 87344-05-6 is also called Glycine,N-[2-[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetyl]-. The IUPAC name is 2-[[2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetyl]amino]acetic acid. Its molecular formula is C₁₇H₁₈N₂O₄. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical 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: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 68.61 Å²; (11)Index of Refraction: 1.596; (12)Molar Refractivity: 85.84 cm3; (13)Molar Volume: 252.1 cm³; (14)Polarizability: 34.03×10^-24cm³; (15)Surface Tension: 47.7 dyne/cm; (16)Enthalpy of Vaporization: 100.37 kJ/mol; (17)Vapour Pressure: 1.16×10^-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(n1C)CC(=O)NCC(=O)O)c2ccc(cc2)C
(2)InChI: InChI=1/C17H18N2O4/c1-11-3-5-12(6-4-11)17(23)14-8-7-13(19(14)2)9-15(20)18-10-16(21)22/h3-8H,9-10H2,1-2H3,(H,18,20)(H,21,22)
(3)InChIKey: IYNXNYQOVKPFMM-UHFFFAOYAT