Structural formula
| Business number | 03VZ |
|---|---|
| Molecular formula | C12H29N3 |
| Molecular weight | 215.38 |
| label |
N-(6-aminohexyl)-1,6-hexanediamine, Bis(hexamethylene)triamine, 6,6′-Iminodihexylamine, Bis(6-aminohexyl)amine |
Numbering system
CAS number:143-23-7
MDL number:MFCD00010448
EINECS number:205-593-1
RTECS number:MO1186250
BRN number:None
PubChem ID:None
Physical property data
1. Physical property data
1. Density (g/mL,20℃): 0.85
2. Melting point (ºC): 33-36 ºC
3. Boiling point (ºC,Normal pressure): 163-165ºC
4. Refractive index: 1.49
5. Flash point (ºC):>230 °F
Toxicological data
2. Toxicological data:
1, acute toxicity: rat oral LD50: 450 mg/kg;
Rabbit transcutaneousLD50: 200 mg/kg.
Ecological data
3. Ecology Data:
Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
5. Molecular property data:
1. Molar refractive index:68.30
2. Molar volume (cm3/mol): 242.7
3. Isotonic specific volume (90.2K ):595.5
4. Surface tension (dyne/ cm):36.2
5. Polarizability（10-24cm3):27.07
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.8
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 12
5. Number of tautomers: none
6. Topological molecule polar surface area 64.1
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 95
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 andspan style=”mso-list: Ignore”>1. Molar refractive index:68.30
2. Molar volume (cm3/mol): 242.7
3. Isotonic specific volume (90.2K ):595.5
4. Surface tension (dyne/ cm):36.2
5. Polarizability（10-24cm3):27.07
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.8
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 12
5. Number of tautomers: none
6. Topological molecule polar surface area 64.1
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 95
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
Stable under normal temperature and pressure.
Forbidden Accessories:Strong oxidizing agent
Storage method
Save at 2-8ºC.
Synthesis method
None
Purpose
None
�Qualitative
Stable under normal temperature and pressure.
Forbidden Accessories:Strong oxidizing agent
Storage method
Save at 2-8ºC.
Synthesis method
None
Purpose
None
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