structural formula
| business number | 03bk |
|---|---|
| molecular formula | c12h16n2o |
| molecular weight | 204.27 |
| label |
3-[(2-hydroxyethyl)(3-methylphenyl)amino]propionitrile, n-cyanoethyl-n-hydroxyethyl-m-methylaniline, 3-methyl-n-(2-cyanoethyl)-n-(2-hydroxyethyl)aniline, aromatic compounds |
numbering system
cas number:119-95-9
mdl number:mfcd00045976
einecs number:none
rtecs number:none
brn number:none
pubchem id:none
physical property data
none
toxicological data
none
ecological data
none
molecular structure data
5. molecular property data:
1, moore refractive index: 60.73
2、 molar volume (m3/mol):184.1
3、 isotonic specific volume (90.2k) ：491.3
4, surface tension (dyne/cm):50.7
5、 polarizability (10-24cm3):24.07
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 1.4
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 5
5. number of tautomers: none
6. topological molecule polar surface area 47.3
7. number of heavy atoms: 15
8. surface charge: 0
9. complexity: 221
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
storage method
none
synthesis method
none
purpose
none
o-font-kerning: 0pt”>10-24cm3): 24.07
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 1.4
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 5
5. number of tautomers: none
6. topological molecule polar surface area 47.3
7. number of heavy atoms: 15
8. surface charge: 0
9. complexity: 221
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
storage method
none
synthesis method
none
purpose
none
