N-Methylisobutylamine
Structural formula
| Business number | 06S0 |
|---|---|
| Molecular formula | C5H13N |
| Molecular weight | 87.16 |
| label |
Methyl isobutylamine, Isobutylmethylamine, N,2-dimethylpropylamine, Methylisobutylamine, Isobutylmethylamine, N,2-Dimethylpropylamine |
Numbering system
CAS number:625-43-4
MDL number:MFCD00015043
EINECS number:210-893-0
RTECS number:None
BRN number:1730970
PubChem ID:None
Physical property data
1. Properties: Pure liquid similar to amine.
2. Density (g/mL, 25/4℃): 0.7248
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC, normal pressure): 78~80
6. Boiling point (ºC, 5.2kPa): Undetermined Determined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturation 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): Not determined
18. Lower explosion limit (%,V/V): Not determined
19. Solubility: Not determined.
Toxicological data
None yet
Ecological data
Do not allow large quantities of products that are slightly harmful to water to come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 28.76
2. Molar volume (cm3/mol): 120.2
3. Isotonic specific volume (90.2K ): 256.4
4. Surface tension (dyne/cm): 20.6
5. Polarizability (10-24cm3): 11.40
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.1
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4.���Number of rotational chemical bonds: 2
5. Number of tautomers: None
6. Topological molecule polar surface area 12
7. Heavy atoms Number: 6
8. Surface charge: 0
9. Complexity: 25.1
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: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Keep away from oxides and acids.
2. Exist in oriental tobacco leaves and smoke.
Storage method
Store in an airtight container in a cool, dry place. The storage area must be locked and the keys must be given to the technical experts and their assistants. The storage place must be away from oxidizing agents and do not be stored together with acids.
Synthesis method
1. Tobacco: OR, 18.
Purpose
None yet