structural formula
| business number | 03z3 |
|---|---|
| molecular formula | c10h11no2 |
| molecular weight | 177.20 |
| label |
5-hydroxy-1h-indole-3-ethanol, 5-hydroxy-1h-indole-3-ethanol, 5-hydroxy-indole-3-ethanol, hydroxytryptophol, 5-hydroxytryptophol crystalline, 5-fluoro-dl-tryptophan, dl-2-amino-3-(5-fluoro-3-indolyl)propionic acid |
numbering system
cas number:154-02-9
mdl number:mfcd00047197
einecs number:205-820-4
rtecs number:nl8512500
brn number:none
pubchem id:none
physical property data
none
toxicological data
reproductive toxicity
rat1 generation reproductive toxicity test: noael: 1500 μg/kg/day. there is no impact.
ecological data
none
molecular structure data
1. molar refractive index:51.49
2. molar volume （cm3/mol）：130.6
3. isotonic ratio （90.2k ）：379.0
4. surface tension （dyne/ cm): 70.9
5. dielectric constants: none available
6. dipole distance（10 -24cm3)：not available
7, polarization rate: 20.41
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: 2
4. number of rotatable chemical bonds: 2
5. number of tautomers: 9
6. topological molecule polar surface area 56.2
7. number of heavy atoms: 13
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: 1
properties and stability
stable under normal temperature and pressure
storage method
-20ºc save
synthesis method
none
purpose
none
arial; mso-bidi-font-family: arial”>dipole moment（10-24cm3) : not available
7, polarization rate: 20.41
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: 2
4. number of rotatable chemical bonds: 2
5. number of tautomers: 9
6. topological molecule polar surface area 56.2
7. number of heavy atoms: 13
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: 1
properties and stability
stable under normal temperature and pressure
storage method
-20ºc save
synthesis method
none
purpose
none
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