Sodium nicotinate Sodium nicotinate
Structural formula
| Business number | 016M |
|---|---|
| Molecular formula | C6H4NNaO2 |
| Molecular weight | 145.1 |
| label |
Pyridine-3-carboxylic acid sodium salt, 1,1-Dimethyl-4-phenylpiperazine sulfonate, DMPP |
Numbering system
CAS number:54-86-4
MDL number:MFCD00064352
EINECS number:200-215-1
RTECS number:QT2060000
BRN number:None
PubChem number:24850330
Physical property data
None
Toxicological data
1. Acute toxicity: rat subcutaneous LD50: 5mg/kg; mouse subcutaneous LDLo: 3mg/kg; mouse intravenous LD50: 2900mg/kg 2. Reproductive toxicity: male mouse oral TDLo: 30mg/kg, 9-18 days later conception
Ecological data
None
Molecular structure data
1. Molar refractive index: 38.21
2. Molar volume (cm3/mol): 96.8
3. Isotonic specific volume (90.2K ): 269.8
4. Surface tension (dyne/cm): 60.2
5. Polarizability (10-24cm3): 15.14
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 0.4
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 1
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 50.2
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 114
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 Number: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None
