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Name |
4-Ethoxy-6-methyl-1,3,5-triazin-2-amine |
EINECS | 223-415-0 |
CAS No. | 3882-66-4 | Density | 1.202 g/cm3 |
PSA | 73.92000 | LogP | 0.74210 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H10N4O | Boiling Point | 349.3 °C at 760 mmHg |
Molecular Weight | 154.172 | Flash Point | 165 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Ethoxy-6-methyl-1,3,5-triazin-2-amine;2-Amino-4-ethoxy-6-methyl-1,3,5-triazine; |
Article Data | 7 |
The IUPAC name of 4-Ethoxy-6-methyl-1,3,5-triazin-2-amine is 4-ethoxy-6-methyl-1,3,5-triazin-2-amine. With the CAS registry number 3882-66-4, it is also named as 2-Amino-4-ethoxy-6-methyl-1,3,5-triazine. The product's classification code is Drug / Therapeutic Agent. In addition, its molecular formula is C6H10N4O and its molecular weight is 154.17.
The other characteristics of 4-Ethoxy-6-methyl-1,3,5-triazin-2-amine can be summarized as: (1)EINECS: 223-415-0; (2)ACD/LogP: 1.05; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.05; (5)ACD/LogD (pH 7.4): 1.05; (6)ACD/BCF (pH 5.5): 3.66; (7)ACD/BCF (pH 7.4): 3.69; (8)ACD/KOC (pH 5.5): 87.87; (9)ACD/KOC (pH 7.4): 88.69; (10)#H bond acceptors: 5; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 2; (13)Polar Surface Area: 51.14 Å2; (14)Index of Refraction: 1.551; (15)Molar Refractivity: 40.89 cm3; (16)Molar Volume: 128.1 cm3; (17)Polarizability: 16.21×10-24cm3; (18)Surface Tension: 55.3 dyne/cm; (19)Density: 1.202 g/cm3; (20)Flash Point: 165 °C; (21)Enthalpy of Vaporization: 59.37 kJ/mol; (22)Boiling Point: 349.3 °C at 760 mmHg; (23)Vapour Pressure: 4.76E-05 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O(c1nc(nc(n1)N)C)CC
(2)InChI: InChI=1/C6H10N4O/c1-3-11-6-9-4(2)8-5(7)10-6/h3H2,1-2H3,(H2,7,8,9,10)
(3)InChIKey: WBYRNUWFQADAPF-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H10N4O/c1-3-11-6-9-4(2)8-5(7)10-6/h3H2,1-2H3,(H2,7,8,9,10)
(5)Std. InChIKey: WBYRNUWFQADAPF-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | > 400mg/kg (400mg/kg) | Yakugaku Zasshi. Journal of Pharmacy. Vol. 95, Pg. 499, 1975. |