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Propanediimidamide,2-(2-phenyldiazenyl)-, hydrochloride (1:2)

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Name

Propanediimidamide,2-(2-phenyldiazenyl)-, hydrochloride (1:2)

EINECS N/A
CAS No. 6306-49-6 Density 1.4 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C9H12N6 Boiling Point 309.2 °C at 760 mmHg
Molecular Weight 204.2318 Flash Point 140.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6306-49-6 ((1Z,3Z)-2-[(E)-phenyldiazenyl]propanediimidamide) Hazard Symbols N/A
Synonyms

Propanediimidamide, 2-(phenylazo)-, dihydrochloride(9CI);Malonamidine,2-(phenylazo)-, dihydrochloride (8CI);

 

Propanediimidamide,2-(2-phenyldiazenyl)-, hydrochloride (1:2) Specification

The Propanediimidamide,2-(2-phenyldiazenyl)-, hydrochloride (1:2), with the CAS registry number 6306-49-6, is also known as NCGC00013286. This chemical's molecular formula is C9H12N6 and molecular weight is 204.112344. Its IUPAC name is called 2-phenyldiazenylpropanediimidamide.

Physical properties of Propanediimidamide,2-(2-phenyldiazenyl)-, hydrochloride (1:2): (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 9.7; (7)#H bond acceptors: 6; (8)#H bond donors: 6; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.683; (11)Molar Refractivity: 55.23 cm3; (12)Molar Volume: 145.5 cm3; (13)Surface Tension: 66.2 dyne/cm; (14)Density: 1.4 g/cm3; (15)Flash Point: 140.8 °C; (16)Enthalpy of Vaporization: 54.99 kJ/mol; (17)Boiling Point: 309.2 °C at 760 mmHg; (18)Vapour Pressure: 0.000651 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)N=NC(C(=N)N)C(=N)N
(2)InChI: InChI=1S/C9H12N6/c10-8(11)7(9(12)13)15-14-6-4-2-1-3-5-6/h1-5,7H,(H3,10,11)(H3,12,13)
(3)InChIKey: DUTJFFGOOSJANZ-UHFFFAOYSA-N

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