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5-hydroxyindole-3-acetic acid

5-hydroxyindole-3-acetic acid structural formula

Structural formula

Business number 0168
Molecular formula C10H9NO3
Molecular weight 191.18
label

5-HIAA

Numbering system

CAS number:54-16-0

MDL number:MFCD00005639

EINECS number:200-195-4

RTECS number:NL3650000

BRN number:168797

PubChem number:24278130

Physical property data

1. Character:Light yellow crystal. 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):160~166 -font-kerning: 0pt”>


5. Boiling point (ºC,Normal pressure): Undetermined


6. Boiling point (ºC,5.2kPa): Undetermined


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/Log value of partition coefficient (water): undetermined


17. Explosion limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility:Soluble in water, ethanol and ethyl acetate, slightly soluble in ether.

Toxicological data

1, acute toxicity: mouse abdominal cavity LD50: 1125 mg/kg

2, carcinogenicity: mouse subcutaneous TDLo: 2000mg/kg/20W-I

Ecological data

None

Molecular structure data

1. Molar refractive index: 51.52


2. Molar Volume (m3/mol): 127.7


3. isotonic ratio(90.2K)384.1


4. Surface Tension(dyne/cm)81.7


5. Polarizability(10-24cm3)20.42

Compute chemical data

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

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 9

6. Topological molecule polar surface area 73.3

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 231

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

Sensitive to light and air, maximum absorption wavelength (in methanol)277 , 300nm (ε 5200, 7200) SPAN>

Storage method

This product should be sealed in4Store dry and protected from light.

Synthesis method

None

Purpose

For biochemical research.

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