3,4-dimethoxybenzoylmethylamine (3,4-dimethoxybenzyl)methylamine
structural formula
| business number | 01cu |
|---|---|
| molecular formula | c10h15no2 |
| molecular weight | 181.23 |
| label |
n-methyl-3,4-dimethoxybenzylamine, 3,4-dimethoxy-n-methylbenzylamine, (h3co)2c6h3ch2nhch3 |
numbering system
cas number:63-64-9
mdl number:mfcd00837593
einecs number:none
rtecs number:none
brn number:none
pubchem number:24882383
physical property data
1. character: uncertain
2. density (g/ml,25/4℃):0.951
3. relative vapor density (g/ml,air=1): unsure
4. melting point (ºc): unsure
5. boiling point (ºc,normal pressure): uncertain
6. boiling point (ºc, 0.5mmhg):103-106
7. refractive index:1.5410
8. flash point (ºf): >230
9. specific optical rotation (º): unsure
10. autoignition point or ignition temperature (ºc): unsure
11. vapor pressure (kpa,25ºc): unsure
12. saturated vapor pressure (kpa,60ºcexplosion limit (%,v/v): unsure
18. lower explosion limit (%,v/v): unsure
19. solubility:not sure
toxicological data
none yet
ecological data
none yet
molecular structure data
1. molar refractive index: 52.75
2. molar volume (m3/mol）：179.0
3. isotonic specific volume (90.2k):425.1
4. surface tension (dyne/cm):31.7
5. polarizability（10-24cm3):20.91
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: 3
4. number of rotatable chemical bonds: 4
5. number of tautomers: none
6. topological molecule polar surface area 30.5
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 141
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: 1
properties and stability
none yet
storage method
this product should be sealed and stored in a cool, dry place.
synthesis method
none yet
purpose
none yet
nbsp; isotonic specific volume (90.2k):425.1
4. surface tension (dyne/cm):31.7
5. polarizability（10-24cm3):20.91
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: 3
4. number of rotatable chemical bonds: 4
5. number of tautomers: none
6. topological molecule polar surface area 30.5
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 141
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: 1
properties and stability
none yet
storage method
this product should be sealed and stored in a cool, dry place.
synthesis method
none yet
purpose
none yet
