EPA Genetic Toxicology Program.

The Hexamethylmelamine , with cas registry number of 645-05-6, belongs to the classes of (1) Agricultural Chemical ; (2) Alkylating agents ; (3) Antineoplastic ; (4) Antineoplastic Agents ; (5) Antineoplastic agents, alkylating ; (6) Drug / Therapeutic Agent ; (7) Insect attractant, repellent and chemosterilant ; (8) Noxae. Its IUPAC name is called 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine . The systematic name is called N,N,N',N',N'',N''-hexamethyl-1,3,5-triazine-2,4,6-triamine . This compound has many synonyms, but the superlist name is called Altretamine .

Physical properties of Hexamethylmelamine are: (1) ACD/LogP: 2.42 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 2.03 ; (4) ACD/LogD (pH 7.4): 2.41 ; (5) ACD/BCF (pH 5.5): 16.43 ; (6) ACD/BCF (pH 7.4): 39.92 ; (7) ACD/KOC (pH 5.5): 199.51 ; (8) ACD/KOC (pH 7.4): 484.7 ; (9) #H bond acceptors: 6 ; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 3 ; (12) Index of Refraction: 1.609 ; (13) Molar Refractivity: 63.46 cm³ ; (14) Molar Volume: 183 cm³ ; (15) Surface Tension: 53.7 dyne/cm ; (16) Density: 1.148 g/cm³ ; (17) Flash Point: 159.1 °C ; (18) Enthalpy of Vaporization: 58.29 kJ/mol ; (19) Boiling Point: 339.4 °C at 760 mmHg ; (20) Vapour Pressure: 9.2E-05 mmHg at 25°C

Preparation of Hexamethylmelamine : This chemical can be prepared by dimethylcyanamide . The reaction occurs at temperature of 20 ℃ using the reagent of  LiCH (SiMe3) 2 and the solvent of hexane for 12 hours. The yield is about 91%.

Uses of Hexamethylmelamine : (1) It has been used to treat refractory ovarian cancer as a drug. (2)This chemical is mostly used in organic synthesis. It can used as a reactant to give 4,6-bis-dimethylamino-1H-[1,3,5]triazin-2-one and O-(4,6-bis-dimethylamino-[1,3,5]triazin-2-yl)-N,N-dimethyl-hydroxylamine . The reaction occures at the temperature of 50 ℃ using the reagent of MCPBA and the solvent of CHCl3 for 24 hour (s). And this process also needs other conditions.

When you are using this chemical, please be cautious about it as the following:
The Hexamethylmelamine is a poison by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition, it emits toxic fumes of NO_x. It is irritating to eyes, respiratory system and skin and harmful if swallowed. When use it, wear suitable protective clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice

You can still convert the following datas into molecular structure:
(1) SMILES:n1c(nc(nc1N(C)C)N(C)C)N(C)C;
(2) InChI:InChI=1/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3 ;
(3) InChIKey:UUVWYPNAQBNQJQ-UHFFFAOYAJ

The toxicity data is as follows: