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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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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