3,4-Diaminobenzenecarboximidamide (68827-43-0)

The CAS register number of 3,4-Diaminobenzenecarboximidamide is 68827-43-0. It also can be called as 4-Amidino-1,2-phenylenediamine and the systematic name about this chemical is 3,4-diaminobenzenecarboximidamide. The molecular formula about this chemical is C₇H₁₀N₄ and the molecular weight is 150.18.

Physical properties about 3,4-Diaminobenzenecarboximidamide are: (1)ACD/LogP: -1.56; (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): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 7; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 101.91Ų; (11)Index of Refraction: 1.696; (12)Molar Refractivity: 39.911 cm³; (13)Molar Volume: 103.727 cm³; (14)Polarizability: 15.822x10^-24cm³; (15)Surface Tension: 68.549 dyne/cm; (16)Enthalpy of Vaporization: 60.945 kJ/mol; (17)Boiling Point: 363.395 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: [N@H]=C(c1cc(N)c(N)cc1)N
(2)InChI: InChI=1/C7H10N4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,8-9H2,(H3,10,11)
(3)InChIKey: YQQCEOMFCLGSTF-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H10N4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,8-9H2,(H3,10,11)
(5)Std. InChIKey: YQQCEOMFCLGSTF-UHFFFAOYSA-N