N-acetyl-DL-tryptophan
Structural formula
| Business number | 01XU |
|---|---|
| Molecular formula | C13H14N2O3 |
| Molecular weight | 246.26 |
| label |
N-acetyl-DL-tryptophan, DL-Α-N-acetamido-β-indolepropionic acid, DL-Α-N-acetamido-β-indolepropionic acid, AC-DL-TRP-OH, DL-α-N-Acetylamino-β-indolylpropionic acid, DL-α-Acetamido indol-3-propionic acid |
Numbering system
CAS number:87-32-1
MDL number:MFCD00005644
EINECS number:201-739-3
RTECS number:None
BRN number:89478
PubChem number:24891071
Physical property data
1. Properties: White flaky crystals. Odorless.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 204-206
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined Determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (kPa, 25ºC): Not determined
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. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit ( %, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Easily soluble in ether and sodium hydroxide Solution, slightly soluble in ethanol.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 67.12
2. Molar volume (m3/mol): 185.1
3. Isotonic specific volume (90.2K): 518.8
4. Surface tension (dyne/cm): 61.6
5. Polarizability (10-24cm3): 26.61
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: 4
5. Number of tautomers: 2
6. Topological molecule polar surface area 82.2
7. Heavy Number of atoms: 18
8. Surface charge: 0
9. Complexity: 332
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
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
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
Biochemical research.
