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89562-40-3

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Basic Information
CAS No.: 89562-40-3
Name: 5-HYDRAZINOCARBONYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID PHENYLAMIDE
Article Data: 1
Molecular Structure:
Molecular Structure of 89562-40-3 (5-HYDRAZINOCARBONYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID PHENYLAMIDE)
Formula: C14H32N2
Molecular Weight: 245.24
Synonyms: 1H-Imidazole-4-carboxylicacid, 5-[(phenylamino)carbonyl]-, hydrazide (9CI);
Density: 1.465g/cm3
Hazard Symbols: IrritantXi
PSA: 112.90000
LogP: 1.42970
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Specification

The 1H-Imidazole-5-carboxylicacid, 4-[(phenylamino)carbonyl]-, hydrazide, with CAS registry number 89562-40-3, has the systematic name of 4-(hydrazinylcarbonyl)-N-phenyl-1H-imidazole-5-carboxamide. Besides this, it is also called 5-(Hydrazinocarbonyl)-N-phenyl-1H-imidazole-4-carboxamide. And the chemical formula of this chemical is C14H32N2.

Physical properties of 1H-Imidazole-5-carboxylicacid, 4-[(phenylamino)carbonyl]-, hydrazide: (1)ACD/LogP: -2.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.28; (4)ACD/LogD (pH 7.4): -2.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.37; (8)ACD/KOC (pH 7.4): 1.36; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 61.68 Å2; (13)Index of Refraction: 1.716; (14)Molar Refractivity: 65.87 cm3; (15)Molar Volume: 167.3 cm3; (16)Polarizability: 26.11×10-24cm3; (17)Surface Tension: 81.6 dyne/cm.

Preparation: this chemical can be prepared by 4,8-dioxo-4H,8H-2,3a,6,7a-tetraaza-s-indacene-1,5-dicarboxylic acid diphenylamide. This reaction will need reagent hydrazine hydrate and solvent dimethylformamide. The reaction time is 1 hour(s). The yield is about 80%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2ncnc2C(=O)Nc1ccccc1)NN
(2)InChI: InChI=1/C11H11N5O2/c12-16-11(18)9-8(13-6-14-9)10(17)15-7-4-2-1-3-5-7/h1-6H,12H2,(H,13,14)(H,15,17)(H,16,18)
(3)InChIKey: OPVSAFKUPCRXIQ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C11H11N5O2/c12-16-11(18)9-8(13-6-14-9)10(17)15-7-4-2-1-3-5-7/h1-6H,12H2,(H,13,14)(H,15,17)(H,16,18)
(5)Std. InChIKey: OPVSAFKUPCRXIQ-UHFFFAOYSA-N