Cyanoacetic Acid Hydrazide Cyanoacetic Acid Hydrazide
Structural formula
| Business number | 03TD |
|---|---|
| Molecular formula | C3H5N3O |
| Molecular weight | 99.09 |
| label |
Antituberculosis hydrazine, Cyanoacetic hydrazide, 2-Cyanoethanohydrazide, aliphatic compounds |
Numbering system
CAS number:140-87-4
MDL number:MFCD00007611
EINECS number:205-437-2
RTECS number:AG4200000
BRN number:None
PubChem number:24893112
Physical property data
1. Physical property data:Characteristics: white thick prismatic crystals, odorless, tasteless.
1.
2.Melting point (℃): 108～110℃
3.Solubility: easily soluble in water (1:3.5), soluble in ethanol (1:50), slightly soluble in chloroform and ether.
Toxicological data
2. Toxicological data:
1, acute toxicity: mice oral LD50: 250 mg/kg;
Mouse abdominal cavityLD50：100 mg/kg;
Mouse subcutaneousLD50: 228 mg /kg.
Ecological data
3. Ecology Data:
1. Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.
Molecular structure data
5. Molecular property data:
1. Molar refractive index:23.14
2. Molar volume (cm3/mol): 79.4
3. Isotonic specific volume (90.2K ):219.5
4. Surface tension (dyne/ cm):58.2
5. Polarizability（10-24cm3):9.17
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -1.3
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
p>
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 2
6. Topological molecule polar surface area 78.9
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 111
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
Store in a sealed and dry place, away from oxidizing agents.
Synthesis method
This product is made from ethyl cyanoacetate (or methyl ester).
Purpose
is a hydrazide derivative. Its anti-tuberculosis effect is similar to that of isoniazid, but worse than isoniazid. It has been used for various types of tuberculosis and ocular tuberculosis. Preparations include tablets and eye drops.
219.5
4. Surface tension (dyne/ cm):58.2
5. Polarizability（10-24cm3):9.17
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -1.3
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
p>
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 2
6. Topological molecule polar surface area 78.9
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 111
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
Store in a sealed and dry place, away from oxidizing agents.
Synthesis method
This product is made from ethyl cyanoacetate (or methyl ester).
Purpose
is a hydrazide derivative. Its anti-tuberculosis effect is similar to that of isoniazid, but worse than isoniazid. It has been used for various types of tuberculosis and ocular tuberculosis. Preparations include tablets and eye drops.