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1,4-Benzenedicarboximidamide

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Name

1,4-Benzenedicarboximidamide

EINECS
CAS No. 15411-54-8 Density 1.35 g/cm3
Solubility Melting Point
Formula C8H10N4 Boiling Point 301.8 °C at 760 mmHg
Molecular Weight 162.1918 Flash Point 136.3 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 15411-54-8 (1,4-Benzenedicarboximidamide) Hazard Symbols
Synonyms

Terephthalamidine(8CI);1,4-Diamidinobenzene;

 

1,4-Benzenedicarboximidamide Specification

The 1,4-Benzenedicarboximidamide is an organic compound with the formula C8H10N4. The IUPAC name of this chemical is benzene-1,4-dicarboximidamide. With the CAS registry number 15411-54-8, it is also named as 1,4-Diamidinobenzene. The product's category is Pharmacetical.

Physical properties about 1,4-Benzenedicarboximidamide are: (1)ACD/LogP: -0.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.49; (4)ACD/LogD (pH 7.4): -3.46; (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: 4; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.2 Å2; (13)Index of Refraction: 1.664; (14)Molar Refractivity: 44.52 cm3; (15)Molar Volume: 119.8 cm3; (16)Polarizability: 17.64×10-24cm3; (17)Surface Tension: 62.4 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 136.3 °C; (20)Enthalpy of Vaporization: 54.2 kJ/mol; (21)Boiling Point: 301.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00103 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [N@H]=C(N)c1ccc(C(=[N@H])N)cc1
(2)InChI: InChI=1/C8H10N4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H3,9,10)(H3,11,12)
(3)InChIKey: UNMMLGAPDZGRJJ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H10N4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H3,9,10)(H3,11,12)
(5)Std. InChIKey: UNMMLGAPDZGRJJ-UHFFFAOYSA-N

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