Niacinamide

Date：2024-04-26 Categories：Our Projects

Niamide Structural Formula

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.

Tags：Niacinamide

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