Name: Diminazene
SKU: 536-71-0

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Basic Information

Molecular Structure:
CAS No.:	536-71-0
Name:	Diminazene
Article Data:	2

Formula:	C₁₄H₁₅N₇
Molecular Weight:	281.32
Synonyms:	Benzamidine,4,4'-(diazoamino)di- (6CI,7CI,8CI);1,3-Bis(p-amidinophenyl)triazene;4,4'-Diamidinodiazoaminobenzene;MP 601206;WR 27800;
EINECS:	208-644-6
Density:	1.39 g/cm³
Melting Point:	212 - 214oC
Boiling Point:	463.3 °C at 760 mmHg
Flash Point:	234 °C
Appearance:	yellow to orange powder
PSA:	136.49000
LogP:	4.03860

Synthetic route

: 536-71-0
diminazene

: 4,4'-dicarbamoyldiazoaminobenzene

Conditions

Conditions	Yield
With sodium carbonate

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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