4-Isoxazolamine,5-methyl-3-phenyl- supplier

Name
5-METHYL-3-PHENYL-4-ISOXAZOLAMINE
EINECS
CAS No. 21169-65-3
Article Data3
CAS DataBase
Density 1.166 g/cm³
Solubility
Melting Point 50 °C
Formula C₁₀H₁₀N₂O
Boiling Point 327.7 °C at 760 mmHg
Molecular Weight 174.202
Flash Point 152 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Isoxazole,4-amino-5-methyl-3-phenyl- (8CI);5-Methyl-3-phenylisoxazol-4-amine;
PSA 52.05000
LogP 2.81340

4-Isoxazolamine,5-methyl-3-phenyl- 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

Product Name

5-METHYL-3-PHENYL-4-ISOXAZOLAMINE

4-Isoxazolamine,5-methyl-3-phenyl- Specification

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