-
Name
as-Triazine, 5-(2,5-dimethoxyphenyl)-3-methoxy-
- EINECS
- CAS No. 74417-04-2
- Density 1.197 g/cm3
- Solubility
- Melting Point
- Formula C12H13N3O3
- Boiling Point 389.4 °C at 760 mmHg
- Molecular Weight 247.25
- Flash Point 141.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms as-Triazine, 5-(2,5-dimethoxyphenyl)-3-methoxy-;5-(2,5-Dimethoxyphenyl)-3-methoxy-1,2,4-triazine;1,2,4-Triazine, 5-(2,5-dimethoxyphenyl)-3-methoxy-;5-(2,5-Dimethoxyphenyl)-3-methoxy-as-triazine
- PSA 66.36000
- LogP 1.56440
1,2,4-Triazine,5-(2,5-dimethoxyphenyl)-3-methoxy- Specification
This chemical is called 1,2,4-Triazine,5-(2,5-dimethoxyphenyl)-3-methoxy-, and it's also named as 1,2,4-Triazine, 5-(2,5-dimethoxyphenyl)-3-methoxy-. With the molecular formula of C12H13N3O3, its molecular weight is 247.25. The CAS registry number of this chemical is 74417-04-2. Additionally, its classification code is Drug / Therapeutic Agent.
Other characteristics of the 1,2,4-Triazine,5-(2,5-dimethoxyphenyl)-3-methoxy- can be summarised as followings: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): 0.63; (5)ACD/BCF (pH 5.5): 1.78; (6)ACD/BCF (pH 7.4): 1.78; (7)ACD/KOC (pH 5.5): 52.63; (8)ACD/KOC (pH 7.4): 52.64; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 66.36 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 65.15 cm3; (15)Molar Volume: 206.3 cm3; (16)Polarizability: 25.82×10-24cm3; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.197 g/cm3; (19)Flash Point: 141.5 °C; (20)Enthalpy of Vaporization: 61.38 kJ/mol; (21)Boiling Point: 389.4 °C at 760 mmHg; (22)Vapour Pressure: 6.4E-06 mmHg at 25°C.
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 300mg/kg (300mg/kg) | Journal of Pharmaceutical Sciences. Vol. 69, Pg. 282, 1980. |
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