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CAS No.: | 13452-77-2 |
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Name: | N4-methyl-1,3,5-triazine-2,4,6-triamine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C4H8N6 |
Molecular Weight: | 140.148 |
Synonyms: | 1,3,5-Triazine-2,4,6-triamine,N-methyl- (9CI);Melamine, methyl- (6CI,7CI,8CI);2,4-Diamino-6-(methylamino)-s-triazine;2,4-Diamino-6-methylamino-1,3,5-triazine;ENT 50993;Methylmelamine;Monomethylmelamine;N-Methylmelamine;N2-Methylmelamine;N2-Methyl-1,3,5-triazine-2,4,6-triamine;NSC118739; |
Density: | 1.505 g/cm3 |
Melting Point: | 259-260 °C (decomp) |
Boiling Point: | 448.2 °C at 760 mmHg |
Flash Point: | 224.9 °C |
PSA: | 107.43000 |
LogP: | -1.64020 |
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The Methylmelamine, with the CAS registry number 13452-77-2, is also known as N4-methyl-1,3,5-triazine-2,4,6-triamine .This chemical's molecular formula is C4H8N6 and molecular weight is 140.15. What's more, its systematic name is Melamine, methyl-. Its classification code is Drug / Therapeutic Agent.
Physical properties of Methylmelamine are: (1)ACD/LogP: -0.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.93; (4)ACD/LogD (pH 7.4): -0.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.33; (8)ACD/KOC (pH 7.4): 13.91; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 48.39 Å2; (13)Index of Refraction: 1.767; (14)Molar Refractivity: 38.6 cm3; (15)Molar Volume: 93.1 cm3; (16)Polarizability: 15.3×10-24cm3; (17)Surface Tension: 108.1 dyne/cm; (18)Density: 1.505 g/cm3; (19)Flash Point: 224.9 °C; (20)Enthalpy of Vaporization: 70.67 kJ/mol; (21)Boiling Point: 448.2 °C at 760 mmHg; (22)Vapour Pressure: 3.16E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CNC1=NC(=NC(=N1)N)N;
(2)InChI: InChI=1S/C4H8N6/c1-7-4-9-2(5)8-3(6)10-4/h1H3,(H5,5,6,7,8,9,10);
(3)InChIKey: CTRPRMNBTVRDFH-UHFFFAOYSA-N;
The toxicity data of Methylmelamine is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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mouse | LD50 | intraperitoneal | 270mg/kg (270mg/kg) | Biochemical Pharmacology. Vol. 26, Pg. 2385, 1977. |