structural formula
| business number | 03ej |
|---|---|
| molecular formula | c11h19no |
| molecular weight | 181.27 |
| label |
trimethylbenzyloxyamine, phenyltrimethylmethanolammonium, benzyltrimethylmethanolammonium, benzyltrimethyl-ammoniumethoxide, n,n,n-trimethyl-benzenemethanaminiumethoxide, benzyltrimethylammonium methoxide, n-benzyl-n,n,n-trimethylammonium methoxide, benzyltrimethylammonium methanolate, benzyl trimethylammonium methoxide, 40 wt% soln. in methanol, ben, aromatic compounds |
numbering system
cas number:122-08-7
mdl number:mfcd00011783
einecs number:204-521-6
rtecs number:none
brn number:none
pubchem id:none
physical property data
none
toxicological data
1, acute toxicity: mice were injected intravenously with ld50: 5600ug/kg
ecological data
none
molecular structure data
none
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 0
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 23.1
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 109
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: 2
properties and stability
none
storage method
none
synthesis method
none
purpose
none
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