Structural formula
| Business number | 033A |
|---|---|
| Molecular formula | C5H14N2 |
| Molecular weight | 102.18 |
| label |
1,3-Bis(methylamino)propane, N,N′-Dimethyltrimethylenediamine, linear compound |
Numbering system
CAS number:111-33-1
MDL number:MFCD00008292
EINECS number:203-859-1
RTECS number:None
BRN number:773668
PubChem number:24858649
Physical property data
1. Characteristics: Colorless liquid.
2. Density (g/mL,20℃):0.817
3. Relative vapor density (g/mL,air =1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,normal pressure):145
6. Boiling point (ºC, kPa): Undetermined
7. Refractive index:1.4375-1.4395
8. Flashpoint (ºC):20
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg,25ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: soluble in water.
Toxicological data
None
Ecological data
Slightly harmful to water bodies.
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 32.40
2. Molar volume (m3/mol）：128.7
3. isotonic specific volume (90.2K):286.9
4. Surface Tension (dyne/cm):24.7
5. Polarizability（10-24cm3):12.84
Compute chemical data
1. Reference value for calculation of hydrophobic parameters (XlogP): -0.3
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
p>
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 24.1
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 25.3
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 oxides, acids, and carbon dioxide.
Storage method
Save in a cool, dry place. Ensure that the workspace has good ventilation facilities and explosion-proof facilities. Keep away from fire sources and prevent static electricity. Store away from oxidants and air.
Synthesis method
None
Purpose
None
isotonic ratio (90.2K): 286.9
4. Surface Tension (dyne/cm):24.7
5. Polarizability（10-24cm3):12.84
Compute chemical data
1. Reference value for calculation of hydrophobic parameters (XlogP): -0.3
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
p>
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 24.1
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 25.3
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 oxides, acids, and carbon dioxide.
Storage method
Save in a cool, dry place. Ensure that the workspace has good ventilation facilities and explosion-proof facilities. Keep away from fire sources and prevent static electricity. Store away from oxidants and air.
Synthesis method
None
Purpose
None
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