1-Methyl-3-nitro-1-nitrosoguanidine 1-Methyl-3-nitro-1-nitrosoguanidine
Structural formula
| Business number | 01G2 |
|---|---|
| Molecular formula | C2H5N5O3 |
| Molecular weight | 147.09 |
| label |
N-methyl-N’-nitro-N-nitrosoguanidine, Diazomethane precursor, MNNG, N-Methyl-N′-nitro-N-nitrosoguanidine, CH3N(NO)C(=NH)NHNO2 |
Numbering system
CAS number:70-25-7
MDL number:MFCD00007034
EINECS number:200-730-1
RTECS number:MF4200000
BRN number:1779490
PubChem number:24845846
Physical property data
1. Properties: yellow crystal.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 118℃ (decomposition)
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 5.2kPa ): Not determined
7. Refractive index: Not determined
8. Flash point (ºC): Not determined
9. Specific rotation (º) : Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion Upper limit (%, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Soluble in water.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 30.06
2. Molar volume (cm3/mol): 83.3
3. Isotonic specific volume (90.2K ): 255.9
4. Surface tension (dyne/cm): 88.8
5. Polarizability (10-24cm3): 11.91
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -0.2
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 2
6. Topological molecule polar surface area 117
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 170
10. Number of isotope atoms: 0
11. Determine the number of stereocenters of atoms: 0
12. Determine the number of stereocenters of atoms: 0
13. Determine the number of stereocenters of chemical bonds: 1
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
This product should be sealed and stored at 0℃ to avoid light. It can gradually decompose after long-term storage, and may cause an explosion when it decomposes to a certain pressure. Commercially available products often add 50% water-wetting products.
Synthesis method
None
Purpose
Chemical mutagens and cancer research.
