N-(2-cyanoethyl)-N-ethylaniline
Structural formula
| Business number | 03XM |
|---|---|
| Molecular formula | C11H14N2 |
| Molecular weight | 174.24 |
| label |
3-(ethylphenylamino)propionitrile, N-ethyl-N-cyanoethylaniline, 3-(Ethylphenylamino)propionitrile |
Numbering system
CAS number:148-87-8
MDL number:MFCD00019858
EINECS number:205-728-4
RTECS number:BY0100000
BRN number:None
PubChem number:24851743
Physical property data
1. Physical property data:
1. Characteristics: Light brown oily liquid
2. Density (g/mL,20℃): 1.03
3. Boiling point (ºC, Normal pressure): 176ºC
Toxicological data
2. Toxicological data:
1, acute toxicity: rat oral LD50: 4840 mg/kg;
Mouse oral LD50: 1510 mg/kg;
Rabbit oral LD50: 1510 mg/kg.
Ecological data
3. Ecological data:
Usually for Water is not hazardous and materials should not be discharged into the surrounding environment without government permission.
Molecular structure data
5. Molecular property data: 1. Molar refractive index:54.59 2. Molar volume (m3/mol):168.1 3. Isotonic specific volume (90.2K):430.6 4. Surface tension (dyne/cm):43.0 5. Polarizability(10-24cm3）：21.64
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 27
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 174
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
Stable under normal temperature and pressure.
Storage method
Seal and store in a dry and cool place. Molar volume (m3/mol):168.1
3. Isotonic specific volume (90.2K):430.6
4. Surface tension (dyne/cm):43.0
5. Polarizability(10-24cm3）：21.64
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 27
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 174
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
Stable under normal temperature and pressure.
Storage method
Seal and store in a dry and cool place.
Synthesis method
None
Purpose
1.Used as dispersed orange 25, 37, 50, 76, disperse red 73, 145, 181 and other dyes.
2.It is the main raw material of dispersed yellow brown and dispersed orange.
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Synthesis method
None
Purpose
1.Used as dispersed orange 25, 37, 50, 76, disperse red 73, 145, 181 and other dyes.
2.It is the main raw material of dispersed yellow brown and dispersed orange.
