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768386-37-4

Basic Information
CAS No.: 768386-37-4
Name: 2,5-Pyrazinediamine(9CI)
Molecular Structure:
Molecular Structure of 768386-37-4 (2,5-Pyrazinediamine(9CI))
Formula: C4H6N4
Molecular Weight: 110.1172
Synonyms: 2,5-Pyrazinediamine(9CI);pyrazine-2,5-diamine;2,5-diaMinopyrazine;2,5-Pyrazinediamine
Density: 1.369g/cm3
Melting Point: 223-224℃
Boiling Point: 372.114 °C at 760 mmHg
Flash Point: 206.644 °C
PSA: 77.82000
LogP: 0.80340
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Specification

The 2,5-Pyrazinediamine, with CAS registry number 768386-37-4, belongs to the following product category: Variousamine. It has the systematic name of pyrazine-2,5-diamine. Its molecular weight is 110.1172. And the chemical formula of this chemical is C4H6N4.

Physical properties of 2,5-Pyrazinediamine: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 9.889; (5)ACD/KOC (pH 7.4): 10.225; (6)#H bond acceptors: 4; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 77.82 Å2; (10)Index of Refraction: 1.695; (11)Molar Refractivity: 30.908 cm3; (12)Molar Volume: 80.441 cm3; (13)Polarizability: 12.253×10-24cm3; (14)Surface Tension: 89.235 dyne/cm; (15)Density: 1.369 g/cm3; (16)Flash Point: 206.644 °C; (17)Enthalpy of Vaporization: 61.922 kJ/mol; (18)Boiling Point: 372.114 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(ncc(n1)N)N
(2)InChI: InChI=1/C4H6N4/c5-3-1-7-4(6)2-8-3/h1-2H,(H2,6,7)(H2,5,8)
(3)InChIKey: AZSMRYOBGTVCKR-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C4H6N4/c5-3-1-7-4(6)2-8-3/h1-2H,(H2,6,7)(H2,5,8)
(5)Std. InChIKey: AZSMRYOBGTVCKR-UHFFFAOYSA-N