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CAS No.: | 4570-45-0 |
---|---|
Name: | Oxazole-2-amine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C3H4N2O |
Molecular Weight: | 84.0776 |
Synonyms: | Oxazole,2-amino- (6CI,7CI,8CI);2-Aminooxazole;2-Oxazolamine; |
Density: | 1.241 g/cm3 |
Melting Point: | 93-95℃ |
Boiling Point: | 186.679 °C at 760 mmHg |
Flash Point: | 66.702 °C |
Hazard Symbols: | Xi |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
PSA: | 52.05000 |
LogP: | 0.83800 |
The Oxazole-2-amine, with the CAS registry number 4570-45-0, has the systematic name and IUPAC name of 1,3-oxazol-2-amine. It belongs to the following product categories: Amines; Oxazoles, Isoxazoles & Benzoxazoles; Naphthyridine, Quinoline; Oxazoles, Isoxazoles & Benzoxazoles; Building Blocks. And the molecular formula of this chemical is C3H4N2O.
The physical properties of Oxazole-2-amine are as followings: (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): 10.102; (5)ACD/KOC (pH 7.4): 18.805; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 52.05 Å2; (10)Index of Refraction: 1.529; (11)Molar Refractivity: 20.88 cm3; (12)Molar Volume: 67.732 cm3; (13)Polarizability: 8.277×10-24cm3; (14)Surface Tension: 51.262 dyne/cm; (15)Density: 1.241 g/cm3; (16)Flash Point: 66.702 °C; (17)Enthalpy of Vaporization: 42.29 kJ/mol; (18)Boiling Point: 186.679 °C at 760 mmHg; (19)Vapour Pressure: 0.655 mmHg at 25°C.
You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: c1coc(n1)N
(2)InChI: InChI=1/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)
(3)InChIKey: ACTKAGSPIFDCMF-UHFFFAOYAK