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Name |
1,2,5-Oxadiazole-3-carboxamide,4-amino- |
EINECS | N/A |
CAS No. | 13300-88-4 | Density | 1.608g/cm3 |
PSA | 108.03000 | LogP | 0.03220 |
Solubility | N/A | Melting Point |
N/A |
Formula | C3H4N4O2 | Boiling Point | 345.5 °C at 760 mmHg |
Molecular Weight | 128.09 | Flash Point | 162.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-Furazancarboxamide,4-amino- (8CI);Furazancarboxamide, 4-amino-;4-Amino-1,2,5-oxadiazole-3-carboxamide; |
Article Data | 13 |
The 1,2,5-Oxadiazole-3-carboxamide,4-amino-, with CAS registry number 13300-88-4, has the systematic name of 4-amino-1,2,5-oxadiazole-3-carboxamide. Besides this, it is also called 4-Amino-furazan-3-carboxylic acid amide. And the chemical formula of this chemical is C3H4N4O2.
Physical properties of 1,2,5-Oxadiazole-3-carboxamide,4-amino-: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.57; (4)ACD/LogD (pH 7.4): 0.57; (5)ACD/BCF (pH 5.5): 1.59; (6)ACD/BCF (pH 7.4): 1.59; (7)ACD/KOC (pH 5.5): 48.48; (8)ACD/KOC (pH 7.4): 48.48; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.47 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 27.9 cm3; (15)Molar Volume: 79.6 cm3; (16)Polarizability: 11.06×10-24cm3; (17)Surface Tension: 96.7 dyne/cm; (18)Density: 1.608 g/cm3; (19)Flash Point: 162.8 °C; (20)Enthalpy of Vaporization: 58.96 kJ/mol; (21)Boiling Point: 345.5 °C at 760 mmHg; (22)Vapour Pressure: 6.13E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)c1nonc1N
(2)InChI: InChI=1/C3H4N4O2/c4-2-1(3(5)8)6-9-7-2/h(H2,4,7)(H2,5,8)
(3)InChIKey: NQUIGUVMOCOCDD-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C3H4N4O2/c4-2-1(3(5)8)6-9-7-2/h(H2,4,7)(H2,5,8)
(5)Std. InChIKey: NQUIGUVMOCOCDD-UHFFFAOYSA-N