5-hydroxyindole-3-ethanol
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
