N,N,4-Trimethylpiperazine-1-ethylamine 1-(2-Dimethylaminoethyl)-4-methylpiperazine
Structural formula
| Business number | 02PT |
|---|---|
| Molecular formula | C9H21N3 |
| Molecular weight | 171.28 |
| label |
N,N,4-trimethylpiperazine-1-ethylamine, 1-(2-Dimethylaminoethyl)-4-methylpiperazine, 1-Methyl-4-dimethylaminoethylpiperazine, 1-(2-Dimethylaminoethyl)-4-methylpiperazine, N,N-4-Trimethyl-1-piperazine ethanamine, 1-(2-(Dimethylamino)ethyl)-4-methyl-piperazin, 1-(2-(N,N-Dimethylamino)ethyl)-4-methylpiperazine, 1-Piperazineethanamine, N,N,4-trime |
Numbering system
CAS number:104-19-8
MDL number:MFCD00059773
EINECS number:203-183-7
RTECS number:TL6125000
BRN number:None
PubChem ID:None
Physical property data
1. Properties: Undetermined
2. Density (g/mL, 20℃): 0.89
3. Relative vapor density (g/mL, air=1) : Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC , 12mmHg): 96
7. Refractive index: not determined
8. Flash point (ºC): not determined
9. Specific rotation (º ): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 20.2ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined Determined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17 . Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Undetermined
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Toxicological data
1. Skin/eye irritation: Start irritation test: rabbit skin contact, 100μg/24H; Standard Dresser test: rabbit skin contact, 5mg/24HREACTION SEVERITY, strong reaction; Standard Dresser test: rabbit eye contact, 750μg/ 24HREACTION SEVERITY, strong reaction; 2. Acute toxicity: rat oral LD50: 1420μL/kg;sp; Rabbit skin contact LD50: 390μL/kg;
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 52.60
2. Molar volume (cm3/mol): 186.4
3. Isotonic specific volume (90.2K ): 439.8
4. Surface tension (dyne/cm): 31.0
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 20.85
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.1
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 9.7
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 117
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
None yet
Synthesis method
None yet
Purpose
None yet