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74417-04-2

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Basic Information
CAS No.: 74417-04-2
Name: as-Triazine, 5-(2,5-dimethoxyphenyl)-3-methoxy-
Molecular Structure:
Molecular Structure of 74417-04-2 (as-Triazine, 5-(2,5-dimethoxyphenyl)-3-methoxy-)
Formula: C12H13N3O3
Molecular Weight: 247.25
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
Density: 1.197 g/cm3
Boiling Point: 389.4 °C at 760 mmHg
Flash Point: 141.5 °C
PSA: 66.36000
LogP: 1.56440
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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.