Tert-octylamine 1,1,3,3-Tetramethylbutylamine
Structural formula
| Business number | 02VA |
|---|---|
| Molecular formula | C8H19N |
| Molecular weight | 129.24 |
| label |
2,4,4-Trimethyl-2-pentylamine, Tert-alkyl octylamine, tert-octylamine, 1,1,3,3-Tetramethylbutylamine, 2,4,4-Trimethyl-2-pentylamine, 2-Amino-2,4,4-trimethylpentane, tert-Octylamine, (CH3)3CCH2C(CH3)2NH2 |
Numbering system
CAS number:107-45-9
MDL number:MFCD00008053
EINECS number:203-491-1
RTECS number:EO3850000
BRN number:1732753
PubChem number:24898029
Physical property data
1. Characteristics: Colorless liquid , with a strong ammonia smell.
2. Density (g/mL,25℃） ：0.81
3. Relative vapor density (g /mL,air=1):4.46
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,normal pressure):137-143
6. Boiling point (ºC, kPa): Undetermined
7. Refractive index (D20)：Undetermined
8. Flashpoint (ºC): 32
9. Specific optical rotation (ºC): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 20ºC): Undetermined
12. Saturated vapor pressure (kPa, 25ºC):1.33
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
2. Molar volume(m3/mol )：164.3
3. isotonic ratio(90.2K）：369.6
4. Surface Tension（dyne/cm)：25.5
5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7. Polarizability: 16.87
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 26
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 87.2
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
Avoid contact with strong oxidants, acids, acid chlorides, and acid anhydrides.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants, acids, etc., and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
None
Purpose
Used as rubber accelerator, pesticide, dye, and intermediate in pharmaceutical manufacturing.
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7. Polarizability: 16.87
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 26
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 87.2
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
Avoid contact with strong oxidants, acids, acid chlorides, and acid anhydrides.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants, acids, etc., and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
None
Purpose
Used as rubber accelerator, pesticide, dye, and intermediate in pharmaceutical manufacturing.
