1,2,3,4-Tetrahydroisoquinoline
Structural formula
| Business number | 023B |
|---|---|
| Molecular formula | C9H11N |
| Molecular weight | 133.19 |
| label |
Tetrahydroisoquinoline, Tetrahydroisoquinoline |
Numbering system
CAS number:91-21-4
MDL number:MFCD00006896
EINECS number:202-050-0
RTECS number:NX4900000
BRN number:116156
PubChem number:24899955
Physical property data
1. Characteristics: Undetermined
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air =1): Undetermined
4. Melting point (ºC): -30-233
5. Boiling point (ºC, normal pressure): 232-233
6. Boiling point (ºC, 5.2kPa): Not determined
7. Refractive index: Undetermined
8. Flash point (ºC): Not determined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
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. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Not determined
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 41.77
2. Molar volume (cm3/mol): 132.2
3. Isotonic specific volume (90.2K ): 326.3
4. Surface tension (dyne/cm): 37.0
5. Polarizability (10-24cm3): 16.56
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 12
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 111
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
Should be sealed and stored in a cool place.
Synthesis method
Reduction of isoquinoline with tin and hydrochloric acid or sodium and ethanol gives 1,2,3,4-tetrahydroisoquinoline.
Purpose
Used as a reagent for organic synthesis.