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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