N-methyl-N-nitrosourea
Structural formula
| Business number | 078V |
|---|---|
| Molecular formula | C2H5N3O2 |
| Molecular weight | 103.08 |
| label |
Nitrosourea, N-methyl-N-nitrosourea, 1-Methyl-1-nitrosourea, Methylnitrosourea, N-nitroso-N-methylurea, MNU, N-Methyl-N-nitrosourea, Dexamethasone acetate intermediate |
Numbering system
CAS number:684-93-5
MDL number:MFCD00014794
EINECS number:211-678-4
RTECS number:YT7875000
BRN number:None
PubChem number:24897498
Physical property data
1. Character:.
2. Density (g/mL,25/4℃):
3. Relative vapor density (g/mL, Air=1): Undetermined
4. Melting point (ºC):
5. Boiling point (ºC,Normal pressure):
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flash Point (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor��（kPa,60ºC ): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Logarial value of the partition coefficient of water: undetermined
17.Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index:22.20 2. Molar Volume（m3/mol)：70.2 3. isotonic ratio（90.2K）： 196.4 4. Surface tension（dyne/cm）：61.1 5. Dielectric constant: 6. Dipole moment（10-24cm3） ： 7. Polarizability:8.80
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 2
6. Topological molecule polar surface area 75.8
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 90.9
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
None
Synthesis method
It is prepared by boiling methylamine, concentrated hydrochloric acid, water and urea, cooling and reacting with sodium hydroxide.
Purpose
Intermediate of dexamethasone acetate. Laboratory used to produce diazomethane.
