structural formula

business number	0168
molecular formula	c10h9no3
molecular weight	191.18
label	5-hiaa

• 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:54-16-0

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 in4℃store dry and protected from light.

synthesis method

none

purpose

for biochemical research.

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