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Basic Information
CAS No.: 220246-81-1
Name: (R)-N-Acetyl-6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone
Molecular Structure:
Molecular Structure of 220246-81-1 ((R)-N-Acetyl-6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone)
Formula: C13H15N3O2
Molecular Weight: 245.281
Synonyms: Acetamide,N-[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]-, (R)-;OR 1896;
Density: 1.278 g/cm3
Melting Point: 224-226 °C
PSA: 70.56000
LogP: 1.34250
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Specification

The Acetamide,N-[4-[(4R)-1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl]phenyl]- is an organic compound with the formula C13H15N3O2. The systematic name of this chemical is N-{4-[(4R)-4-Methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}acetamide. With the CAS registry number 220246-81-1, it is also named as N-[4-((R)-4-Methyl-6-oxo-1,4,5,6-tetrahydro-pyridazin-3-yl)-phenyl]-acetamide. The categories of the product are Intermediates and Fine Chemicals; Metabolites and Impurities; Pharmaceuticals. Besides, its molecular weight is 245.2771.

The physical properties of Acetamide,N-[4-[(4R)-1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl]phenyl]- are: (1)ACD/LogP: 0.71; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11; (7)ACD/KOC (pH 7.4): 11; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 70.56 Å2; (12)Index of Refraction: 1.625; (13)Molar Refractivity: 67.854 cm3; (14)Molar Volume: 191.852 cm3; (15)Polarizability: 26.899×10-24 cm3; (16)Surface Tension: 46.978 dyne/cm; (17)Density: 1.278 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N/N=C(/c1ccc(NC(=O)C)cc1)[C@H](C)C2
(2)InChI: InChI=1/C13H15N3O2/c1-8-7-12(18)15-16-13(8)10-3-5-11(6-4-10)14-9(2)17/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,18)/t8-/m1/s1
(3)InChIKey: GDZXNMWZXLDEKG-MRVPVSSYBU
(4)Std. InChI: InChI=1S/C13H15N3O2/c1-8-7-12(18)15-16-13(8)10-3-5-11(6-4-10)14-9(2)17/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,18)/t8-/m1/s1
(5)Std. InChIKey: GDZXNMWZXLDEKG-MRVPVSSYSA-N