N-Methylisobutylamine

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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