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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