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
