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Name |
5-Isoxazolemethanamine |
EINECS | 604-604-1 |
CAS No. | 401647-18-5 | Density | 1.148 g/cm3 |
PSA | 52.05000 | LogP | 0.83360 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H6N2O | Boiling Point | 206.994 °C at 760 mmHg |
Molecular Weight | 98.1 | Flash Point | 78.988 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Isoxazol-5yl-methylamine; |
Article Data | 2 |
The 5-Isoxazolemethanamine is an organic compound with the formula C4H6N2O. The systematic name of this chemical is 1-(1,2-oxazol-5-yl)methanamine. With the CAS registry number 401647-18-5, it is also named as Isoxazol-5yl-methylamine.
Physical properties about 5-Isoxazolemethanamine are: (1)ACD/LogP: -1.59; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 52.05 Å2; (10)Index of Refraction: 1.499; (11)Molar Refractivity: 25.095 cm3; (12)Molar Volume: 85.44 cm3; (13)Polarizability: 9.949×10-24cm3; (14)Surface Tension: 44.964 dyne/cm; (15)Density: 1.148 g/cm3; (16)Flash Point: 78.988 °C; (17)Enthalpy of Vaporization: 44.324 kJ/mol; (18)Boiling Point: 206.994 °C at 760 mmHg; (19)Vapour Pressure: 0.231 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: NCc1ccno1
(2)InChI: InChI=1/C4H6N2O/c5-3-4-1-2-6-7-4/h1-2H,3,5H2
(3)InChIKey: OYNWFDBANWIYDA-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C4H6N2O/c5-3-4-1-2-6-7-4/h1-2H,3,5H2
(5)Std. InChIKey: OYNWFDBANWIYDA-UHFFFAOYSA-N