Structural formula
Business number | 01BW |
---|---|
Molecular formula | C10H12N2 |
Molecular weight | 160.22 |
label |
3-(2-Aminoethyl)indole, 2-(3-Indolyl)ethylamine, 3-(2-Aminoethyl)indole |
Numbering system
CAS number:61-54-1
MDL number:MFCD00005661
EINECS number:200-510-5
RTECS number:NL4020000
BRN number:125513
PubChem number:24851608
Physical property data
1. Properties: White needle-like crystals. Sensitive to light and air.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 118℃ (decomposes at 145~146℃)
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point ( ºC, 20kPa): 137
7. Refractive index: not determined
8. Flash point (ºC): 1859. Specific rotation (º): not determined
10. Autoignition point Or ignition temperature (ºC): not determined
11. Vapor pressure (kPa, 25ºC): not determined
12. Saturated vapor pressure (kPa, 60ºC): not determined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Soluble in ethanol and acetone, almost insoluble in ether, benzene, chloroform and water.
Toxicological data
1. Acute toxicity: rat intraperitoneal LD50: 223mg/kg; mouse intraperitoneal LD50: 100mg/kg; mouse subcutaneous LD50: 500mg/kg
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 51.61
2. Molar volume (cm3/mol): 138.3
3. Isotonic specific volume (90.2K ): 376.3
4. Surface tension (dyne/cm): 54.7
5. Polarizability (10-24cm3): 20.46
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 41.8
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 147
10. Number of isotope atoms: 0
11. Determine the atomic configurationNumber of stereocenters: 0
12. Uncertain number of stereocenters of atoms: 0
13. Determined number of stereocenters of chemical bonds: 0
14. No Determine the number of stereocenters of chemical bonds: 0
15. The number of covalent bond units: 1
Properties and stability
None yet
Storage method
This product should be sealed and stored dry at 4°C.
Synthesis method
None yet
Purpose
Biochemical research.