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3,4-Diaminobenzenecarboximidamide

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Name

3,4-Diaminobenzenecarboximidamide

EINECS N/A
CAS No. 68827-43-0 Density 1.448 g/cm3
PSA 101.91000 LogP 2.09750
Solubility N/A Melting Point N/A
Formula C7H10N4 Boiling Point 363.395 °C at 760 mmHg
Molecular Weight 150.183 Flash Point 173.575 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 68827-43-0 (Benzenecarboximidamide,  3,4-diamino-) Hazard Symbols N/A
Synonyms

4-Amidino-1,2-phenylenediamine;

Article Data 3

3,4-Diaminobenzenecarboximidamide Specification

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: 101.91Å2; (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

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