EPA Genetic Toxicology Program.

The IUPAC name of N-Methyl-N'-nitroguanidine is 2-methyl-1-nitroguanidine. With the CAS registry number 4245-76-5, it is also named as 1-Methyl-3-nitroguanidine. The product's categories are Guanidines; Nitrogen Compounds; Organic Building Blocks. Besides, it is white needle crystal, which should be sealed in a dark, ventilated and dry place. And this chemical is a pharmaceutical intermediate, pesticide intermediate. In addition, its molecular formula is C₂H₆N₄O₂ and molecular weight is 118.09.

The other characteristics of N-Methyl-N'-nitroguanidine can be summarized as: (1)ACD/LogP: -0.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.49; (4)ACD/LogD (pH 7.4): -0.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.93; (8)ACD/KOC (pH 7.4): 11.62; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 64.66 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 25.25 cm³; (15)Molar Volume: 75 cm³; (16)Polarizability: 10.01×10^-24cm³; (17)Surface Tension: 68.7 dyne/cm; (18)Density: 1.57 g/cm³; (19)Flash Point: 105.4 °C; (20)Melting Point: 153-155 °C; (21)Enthalpy of Vaporization: 48.79 kJ/mol; (22)Boiling Point: 250.7 °C at 760 mmHg; (23)Vapour Pressure: 0.0214 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is highly flammable. Please keep away from sources of ignition. It is also harmful by inhalation, in contact with skin and if swallowed. Moreover, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CN=C(N)N[N+](=O)[O-]
(2)InChI: InChI=1S/C2H6N4O2/c1-4-2(3)5-6(7)8/h1H3,(H3,3,4,5)
(3)InChIKey: XCXKNNGWSDYMMS-UHFFFAOYSA-N

The toxicity data is as follows: