1,4-Benzenedicarboximidamide supplier

Name
1,4-DIAMIDINOBENZENE
EINECS
CAS No. 15411-54-8
Article Data2
CAS DataBase
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
Hazard Symbols
Synonyms Terephthalamidine(8CI);1,4-Diamidinobenzene;
PSA 99.74000
LogP 1.85480

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

Product Name

1,4-DIAMIDINOBENZENE

1,4-Benzenedicarboximidamide Specification

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