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p-Methoxyphenylethylamine

Structural formula of 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):249251


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 ( 2021g/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. Polarizability10-24cm3):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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