p-methoxyphenylethylamine
structural formula
| business number | 0170 |
|---|---|
| molecular formula | c9h13no |
| molecular weight | 151.21 |
| label |
2-(4-methoxyphenyl)ethylamine, 4-methoxyphenethylamine |
numbering system
cas number:55-81-2
mdl number:mfcd00008192
einecs number:200-245-5
rtecs number:sh7875000
brn number:508967
pubchem number:24883850
physical property data
1. character: colorless liquid.
2. density (g/ml,25/4℃):1.031
3. relative vapor density (g/ml,air=1): undetermined
4. melting point (ºc): undetermined
5. boiling point (ºc,normal pressure):249～251
6. boiling point (ºc,5.2kpa): undetermined
7. refractive index:1.534
8. flash point (ºc):72
9. specific optical rotation (º): undetermined
10. autoignition point or ignition temperature (ºc): undetermined
11. vapor pressure (kpa,25ºc)：��ok
12. saturated vapor pressure (kpa,60ºc): undetermined
13. heat of combustion (kj/mol): undetermined
14. critical temperature (ºc): undetermined
15. critical pressure (kpa): undetermined
16. oil and water (octanol/logarial value of partition coefficient for water: undetermined
17. explosion limit (%,v/v): undetermined
18. lower explosion limit (%,v/v): undetermined
19. solubility:soluble in water ( 20℃，21g/l).
toxicological data
1, acute toxicity: mouse abdominal cavity ld50: 100mg/kg
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index:46.01
2. molar volume (m3/mol）：149.9
3. isotonic specific volume (90.2k):369.5
4. surface tension (dyne/cm):36.9
5. polarizability（10-24cm3):18.24
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 3
5. number of tautomers: none
6. topological molecule polar surface area 35.2
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 97.7
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determinenumber of stereocenters of chemical bonds: 0
14. number of stereocenters of uncertain chemical bonds: 0
15. number of covalent bond units: 1
properties and stability
none
storage method
this product should be sealed and stored with argon gas.
synthesis method
none
purpose
organic synthesis.
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