Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Amino-2-methyl-4-oxazolecarbonitrile |
EINECS | 202-643-4 |
CAS No. | 5098-16-8 | Density | 1.3 g/cm3 |
PSA | 75.84000 | LogP | 1.01808 |
Solubility | N/A | Melting Point |
5-6oC(lit.) |
Formula | C5H5N3O | Boiling Point | 305.5 °C at 760 mmHg |
Molecular Weight | 123.114 | Flash Point | 138.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 36/37/39-45 | Risk Codes | 22-24-26-33 |
Molecular Structure | Hazard Symbols | T+ | |
Synonyms |
5-Amino-2-methyl-1,3-oxazole-4-carbonitrile;NSC 133684;5-Amino-2-methyloxazole-4-carbonitrile; |
Article Data | 5 |
The 4-Oxazolecarbonitrile,5-amino-2-methyl-, with the CAS registry number 5098-16-8, has the systematic name of 5-amino-2-methyl-1,3-oxazole-4-carbonitrile. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C5H5N3O.
The characteristics of 4-Oxazolecarbonitrile,5-amino-2-methyl- are as followings: (1)ACD/LogP: -0.65; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 53.06 Å2; (7)Index of Refraction: 1.544; (8)Molar Refractivity: 29.84 cm3; (9)Molar Volume: 94.5 cm3; (10)Polarizability: 11.83×10-24cm3; (11)Surface Tension: 66.5 dyne/cm; (12)Density: 1.3 g/cm3; (13)Flash Point: 138.6 °C; (14)Enthalpy of Vaporization: 54.6 kJ/mol; (15)Boiling Point: 305.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000817 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#Cc1nc(oc1N)C
(2)InChI: InChI=1/C5H5N3O/c1-3-8-4(2-6)5(7)9-3/h7H2,1H3
(3)InChIKey: OVIXKBXQNCJGDG-UHFFFAOYAO