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| CAS No.: | 21169-65-3 |
|---|---|
| Name: | 5-METHYL-3-PHENYL-4-ISOXAZOLAMINE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C10H10N2O |
| Molecular Weight: | 174.202 |
| Synonyms: | Isoxazole,4-amino-5-methyl-3-phenyl- (8CI);5-Methyl-3-phenylisoxazol-4-amine; |
| Density: | 1.166 g/cm3 |
| Melting Point: | 50 °C |
| Boiling Point: | 327.7 °C at 760 mmHg |
| Flash Point: | 152 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 52.05000 |
| LogP: | 2.81340 |
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- Total:11 Page 1 of 1 1
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Specification
This chemical is called 4-Isoxazolamine,5-methyl-3-phenyl-, and its systematic name is 5-methyl-3-phenylisoxazol-4-amine. With the molecular formula of C10H10N2O, its molecular weight is 174.2. The CAS registry number of the chemical is 21169-65-3. Additionally, it should away from the light.
Other characteristics of 4-Isoxazolamine,5-methyl-3-phenyl- can be summarised as followings: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 2.6; (6)ACD/BCF (pH 7.4): 2.6; (7)ACD/KOC (pH 5.5): 68.89; (8)ACD/KOC (pH 7.4): 68.89; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.27 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 50.29 cm3; (15)Molar Volume: 149.2 cm3; (16)Polarizability: 19.93×10-24cm3; (17)Surface Tension: 47.6 dyne/cm; (18)Density: 1.166 g/cm3; (19)Flash Point: 152 °C; (20)Enthalpy of Vaporization: 57 kJ/mol; (21)Boiling Point: 327.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000199 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n1oc(c(c1c2ccccc2)N)C
2.InChI: InChI=1/C10H10N2O/c1-7-9(11)10(12-13-7)8-5-3-2-4-6-8/h2-6H,11H2,1H3
3.InChIKey: QWMOVJWPTZATFS-UHFFFAOYAA
4.Std. InChI: InChI=1S/C10H10N2O/c1-7-9(11)10(12-13-7)8-5-3-2-4-6-8/h2-6H,11H2,1H3
5.Std. InChIKey: QWMOVJWPTZATFS-UHFFFAOYSA-N