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Diminazene

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Name

Diminazene

EINECS 208-644-6
CAS No. 536-71-0 Density 1.39 g/cm3
PSA 136.49000 LogP 4.03860
Solubility N/A Melting Point 212 - 214oC
Formula C14H15N7 Boiling Point 463.3 °C at 760 mmHg
Molecular Weight 281.32 Flash Point 234 °C
Transport Information N/A Appearance yellow to orange powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 536-71-0 (Diminazene) Hazard Symbols N/A
Synonyms

Benzamidine,4,4'-(diazoamino)di- (6CI,7CI,8CI);1,3-Bis(p-amidinophenyl)triazene;4,4'-Diamidinodiazoaminobenzene;MP 601206;WR 27800;

Article Data 2

Diminazene Synthetic route

536-71-0

diminazene

4,4'-dicarbamoyldiazoaminobenzene

Conditions
ConditionsYield
With sodium carbonate

Diminazene Specification

The Diminazene is an organic compound with the formula C14H15N7. The IUPAC name of this chemical is 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide. With the CAS registry number 536-71-0, it is also named as 4,4'-(1E)-Triaz-1-ene-1,3-diyldibenzenecarboximidamide. The product's classification codes are Anti-Infective Agents; Antiparasitic Agents; Antiprotozoal Agents; Trypanocidal agents. Besides, it binds DNA and RNA and is the acting component of diminazene aceturat drugs (commercialized as Azidin, Berenil, Ganasag or Pirocide) directed, e.g., against trypanosomiasis.

Physical properties about Diminazene are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.36; (4)ACD/LogD (pH 7.4): -1.36; (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): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 59.16 Å2; (13)Index of Refraction: 1.707; (14)Molar Refractivity: 78.78 cm3; (15)Molar Volume: 202.2 cm3; (16)Polarizability: 31.23×10-24cm3; (17)Surface Tension: 64.5 dyne/cm; (18)Density: 1.39 g/cm3; (19)Flash Point: 234 °C; (20)Enthalpy of Vaporization: 72.45 kJ/mol; (21)Boiling Point: 463.3 °C at 760 mmHg; (22)Vapour Pressure: 9.21E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N(=N/Nc1ccc(cc1)C(=[N@H])N)\c2ccc(C(=[N@H])N)cc2
(2)InChI: InChI=1/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)
(3)InChIKey: XNYZHCFCZNMTFY-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)
(5)Std. InChIKey: XNYZHCFCZNMTFY-UHFFFAOYSA-N

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