Nialamide Nialamide
Structural formula
| Business number | 014F |
|---|---|
| Molecular formula | C16H18N4O2 |
| Molecular weight | 298.34 |
| label |
Nicotinamide, Nialamine, N-Benzyl-β-(isonicotinylhydrazino)propionamide, Pyridine-4-carboxylic 2-[2-(benzylcarbamoyl)ethyl]hydrazide, N-Isonicotinoyl-N’-[β-(N-benzylcarboxamido)ethyl]hydrazine |
Numbering system
CAS number:51-12-7
MDL number:MFCD00010106
EINECS number:200-079-3
RTECS number:NS1225000
BRN number:492941
PubChem number:24278185
Physical property data
1. Properties: White crystalline powder. Slightly bitter taste.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 152～153
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 acidic solvents, slightly soluble in water.
Toxicological data
1. Acute toxicity: rat oral LD50: 1700mg/kg; rat abdominal LD50: 760mg/kg; mouse oral LD50: 590mg/kg; mouse abdominal LD50: 200mg/kg; rabbit abdominal LD50: >150 mg /kg2. Other multi-dose toxicity: rat oral TDLo: 54600mg/kg26W-C3. Reproductive toxicity: female mouse subcutaneous TDLo: 5045mg/kg, conception after 6 days 4. Mutagenicity: mutation microorganismsTEST system: bacteria-Typhimurium Salmonella: 10ug/plate; DNA repairTEST system: bacteria – E. coli: 27umol/plate; mutation test system – not other specifiedTEST systems bacteria – Bacillus subtilis: 10mmol/L; DNA damage: mouse peritoneal cavity: 2450umol/kg; Sister chromosome exchange: mouse abdominal cavity: 435mg/kg
EcologyData
None
Molecular structure data
1. Molar refractive index: 83.57
2. Molar volume (cm3/mol): 247.9
3. Isotonic specific volume (90.2K ): 667.0
4. Surface tension (dyne/cm): 52.3
5. Polarizability (10-24cm3): 33.13
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 0.9
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 7
5. Number of tautomers: 6
6. Topological molecular polar surface area (TPSA): 83.1
7. Number of heavy atoms: 22
8. Surface charge: 0
9. Complexity: 350
10. Number of isotope atoms : 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the chemical bond configuration Number of centers: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
This product should be sealed with argon gas and stored below 0℃.
Synthesis method
Prepared from isonicotinic hydrazide as raw material.
Purpose
Ammonia oxidase (MAO) inhibitor. Medicine (antidepressants).
This product is a monoamine oxidase inhibitor with the same effects, clinical uses and adverse reactions as phenelzine. Used to treat various forms of depression, anxiety, and phobias, as well as for sore throats.