5-hydroxytryptamine hydrochloride

Structural formula

• 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:153-98-0

MDL number:MFCD00012686

EINECS number:None

RTECS number:None

BRN number:3570963

PubChem number:24278124

Physical property data

1. Physical property data:

1. Appearance: powder

2. Melting point (ºC): 167-168ºC3. Solubility: soluble in water

Toxicological data

Acute toxicity:

Oral LD50 60mg/kg (mus)

Main irritant effects:

On skin: May cause inflammation.

In eyes: May cause irritation

Sensitization: No known sensitizing effects.

Ecological data

3. Ecological data:

General remarks

Water hazard level 1 (German regulations) (self-assessment through the list) This substance is slightly harmful to water.

Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems.

Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 53.49

2. Molar volume (cm³/mol): 136.7

3. Isotonic specific volume (90.2K): 391.3

4. Surface tension (dyne/cm): 66.9

5. Polarizability (10^-24cm³): 21.20

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 9

6. Topological molecule polar surface area 62

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 174

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: 2

Properties and stability

Stable under normal temperature and pressure.

Incompatible materials: strong oxidizing agents

Storage method

Store sealed in a dry and cool place.

Synthesis method

None yet

Purpose

None yet