CAS No.26576-46-5,5-Acetoacetlamino benzimdazolone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	26576-46-5
Name:	5-Acetoacetlamino benzimdazolone
Article Data:	7

Formula:	C₁₁H₁₁N₃O₃
Molecular Weight:	233.227
Synonyms:	5-(Acetoacetylamino)benzimidazolone;5-Acetoacetamido-2-benzimidazolinone;5-Acetoacetlamino benzimdazolone;3-Oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide;
EINECS:	247-820-7
Density:	1.369 g/cm³
Melting Point:	350 °C
Boiling Point:	370.999 °C at 760 mmHg
Flash Point:	153.5 °C
Appearance:	White to off-white powder
Hazard Symbols:	O,C,Xi
Risk Codes:	R8; R20/21/22; R34; R22; R36/38; R20; R45
PSA:	94.82000
LogP:	0.84680

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Specification

The N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo-butanamide, with the CAS registry number 26576-46-5, is also known as 5-Acetoacetlamino benzimdazolone. Its EINECS number is 247-820-7. This chemical's molecular formula is C₁₁H₁₁N₃O₃and molecular weight is 233.22. What's more, its systematic name is 3-Oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide. This chemical is used for the manufacture of organic pigments.

Physical properties of N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo-butanamide are: (1)ACD/LogP: 0.063; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/LogD (pH 7.4): 0.06; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 25.78; (8)ACD/KOC (pH 7.4): 25.64; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 87.3 Å²; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 59.598 cm³; (15)Molar Volume: 170.304 cm³; (16)Polarizability: 23.626×10^-24cm³; (17)Surface Tension: 58.58 dyne/cm; (18)Density: 1.369 g/cm³; (19)Flash Point: 153.5 °C; (20)Enthalpy of Vaporization: 61.796 kJ/mol; (21)Boiling Point: 370.999 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)CC(=O)Nc1ccc2c(c1)NC(=O)N2
(2)Std. InChI: InChI=1S/C11H11N3O3/c1-6(15)4-10(16)12-7-2-3-8-9(5-7)14-11(17)13-8/h2-3,5H,4H2,1H3,(H,12,16)(H2,13,14,17)
(3)Std. InChIKey: VEMDQCGHZNXORX-UHFFFAOYSA-N