structural formula
| business number | 03nd |
|---|---|
| molecular formula | c20h24n2o4 |
| molecular weight | 356.42 |
| label |
1-phenyl-1-(2-pyridyl)-3-dimethylaminopropane maleate, aromatic compounds |
numbering system
cas number:132-20-7
mdl number:mfcd00079250
einecs number:205-051-4
rtecs number:ut0175000
brn number:none
pubchem number:24277769
physical property data
1. melting point (℃):104-108
2. solubility:water soluble>=1 g/100 ml at 24°c.
toxicological data
1, acute toxicity: oral administration to infants ldlo: 30mg/kg
rat oral ld5o: 520mg/kg
rat subcutaneous ldlo: 200mg/kg
mice orally ld5o: 268mg/kg
dog meridian veinldlo：111mg/kg
guinea pig oral ld5o: 270mg/kg
guinea pig transvenous ld5o: 72mg/kg
2, mutagenicity: mouse oral genetic analysis: 1120ug/kg
ecological data
none yet
molecular structure data
none yet
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp):
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 6
4. number of rotatable chemical bonds: 7
5. number of tautomers: 2
6. topological molecular polar surface area (tpsa):90.7
7. number of heavy atoms: 26
8. surface charge: 0
9. complexity: 340
10. number of isotope atoms: 0
4. number of rotatable chemical bonds: 7
5. number of tautomers: 2
6. topological molecular polar surface area (tpsa):90.7
7. number of heavy atoms: 26
8. surface charge: 0
9. complexity: 340
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. the number of uncertain atomic stereocenters: 1
13. determine the number of stereocenters of chemical bonds: 1
14. uncertain number of chemical bond stereocenters: 0
15. number of covalent bond units: 2
properties and stability
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
rgin-bottom-alt: auto” align=left>11. determine the atomic stereocenter quantity: 0
12. the number of uncertain atomic stereocenters: 1
13. determine the number of stereocenters of chemical bonds: 1
14. uncertain number of chemical bond stereocenters: 0
15. number of covalent bond units: 2
properties and stability
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
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