Structural formula
Business number | 017T |
---|---|
Molecular formula | C11H12N2O3 |
Molecular weight | 220.23 |
label |
DL-2-amino-3-(5-hydroxyindole)propionic acid |
Numbering system
CAS number:56-69-9
MDL number:MFCD00005651
EINECS number:200-284-8
RTECS number:YN7100000
BRN number:88199
PubChem ID:None
Physical property data
None yet
Toxicological data
1, acute toxicity: mouse abdominal cavityLD50 :200mg/kg
2 , Reproductive toxicity: male rat abdominal cavity TDLo: 30mg/kg, 1Mating days before
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 59.65
2. Molar volume (m3/mol):148.3
3. isotonic specific volume (90.2K):450.3
4. Surface Tension (dyne/cm):85.0
5. Polarizability(10-24cm3): 23.64
Calculate chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -1.2
2. Number of hydrogen bond donors: 4
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 8
6. Topological molecular polar surface area (TPSA):99.3
7. Number of heavy atoms: 16
8. Surface charge: 0
2. Number of hydrogen bond donors: 4
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 8
6. Topological molecular polar surface area (TPSA):99.3
7. Number of heavy atoms: 16
8. Surface charge: 0
9. Complexity: 272
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. The number of uncertain atomic stereocenters: 1
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of 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
None yet
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10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. The number of uncertain atomic stereocenters: 1
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of 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
None yet