Pentylenetetrazole
Structural formula
| Business number | 016N |
|---|---|
| Molecular formula | C6H10N4 |
| Molecular weight | 138.17 |
| label |
1,5-pentamethylenetetrazole, α,β-Cyclopentamethylenetetrazole, 1,5-Pentamethylenetetrazole, 6,7,8,9-Tetrahydro-5H-tetrazolo[1,5-a]azepine, Metrazole, Pentylenetetrazole |
Numbering system
CAS number:54-95-5
MDL number:MFCD00005939
EINECS number:200-219-3
RTECS number:XF8225000
BRN number:135492
PubChem number:24278643
Physical property data
1. Character:White crystal. Odorless. Slightly spicy and bitter taste. Sexually stable.
2. Density (g/mL,25/4℃): Undetermined
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC): 57~60
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC, 1.60kPa): 194
7. Refractive index: undetermined
8. Flashpoint (ºC): Undetermined
9. Specific optical 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. Oil and water (octanol/Logarial value of partition coefficient for water: undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:Easily soluble in water and ethanol, soluble in ether, chloroform and carbon tetrachloride. Aqueous solutions are neutral to litmus.
Toxicological data
None
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 38.21
2. Molar volume (m3/mol): 96.8
3. isotonic specific volume (90.2K):269.8
4. Surface Tension (dyne/cm):60.2
5. Polarizability（10-24cm3):15.14
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: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 43.6
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 116
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
This product should be sealed and stored away from light.
Synthesis method
Prepared by reacting cyclohexanone and hydrazoic acid
Purpose
cardiotonic. Biochemical research.
can be used for acute infectious diseases, anesthetics and Respiratory depression and acute circulatory failure caused by biturin poisoning. It can be used as a central stimulant (for human or veterinary use ). Preparations include injections.
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