CAS No.459-86-9,Mitoguazone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	459-86-9
Name:	Mitoguazone
Article Data:	4

Formula:	C₅H₁₂N₈
Molecular Weight:	184.204
Synonyms:	N''-{(1E,2E)-2-[(Diaminomethylidene)hydrazono]-1-methylethylidene}carbonohydrazonic diamide;2-[(E)-[(1E)-1-(Diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine;1,1'-[(Methylethanediylidene)dinitrilo]diguanidine;2,2'-(1-Methyl-1,2-ethanediylidene)bis[hydrazinecarboximidamide;
EINECS:	202-958-7
Density:	1.55 g/cm³
Melting Point:	225 °C (decomp)
Boiling Point:	436.6 °C at 760 mmHg
Flash Point:	217.8 °C
PSA:	148.52000
LogP:	0.69610

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Specification

The Hydrazinecarboximidamide,2,2'-(1-methyl-1,2-ethanediylidene)bis-, with the CAS registry number 459-86-9, is also known as N''-{(1E,2E)-2-[(Diaminomethylidene)hydrazono]-1-methylethylidene}carbonohydrazonic diamide. The molecular formula of this chemical is C₅H₁₂N₈ and molecular weight is 184.2024. What's more, its IUPAC name is 2-[(E)-[(1E)-1-(Diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine. In addition, it should be stored in condition of cold and dry.

Physical properties about Hydrazinecarboximidamide,2,2'-(1-methyl-1,2-ethanediylidene)bis- are: (1)ACD/LogP: -1.27; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.97; (4)ACD/LogD (pH 7.4): -1.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.46; (9)#H bond acceptors: 8; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 62.4 Å²; (13)Index of Refraction: 1.692; (14)Molar Refractivity: 45.27 cm³; (15)Molar Volume: 118.1 cm³; (16)Polarizability: 17.94×10^-24cm³; (17)Surface Tension: 74.8 dyne/cm; (18)Density: 1.55 g/cm³; (19)Flash Point: 217.8 °C; (20)Enthalpy of Vaporization: 69.31 kJ/mol; (21)Boiling Point: 436.6 °C at 760 mmHg; (22)Vapour Pressure: 7.99E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N(\N=C\C(=N\N=C(/N)N)C)=C(/N)N
(2) InChI: InChI=1/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)/b10-2+,11-3+
(3) InChIKey: MXWHMTNPTTVWDM-NXOFHUPFBJ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intraperitoneal	> 150mg/kg (150mg/kg)		Advances in Teratology. Vol. 3, Pg. 181, 1968.