Structural formula
| Business number | 01A8 |
|---|---|
| Molecular formula | C10H14N2O |
| Molecular weight | 178.23 |
| label |
Nicethamidum, Nicotinic acid diethylamide |
Numbering system
CAS number:59-26-7
MDL number:MFCD00006386
EINECS number:200-418-5
RTECS number:QS4375000
BRN number:5743
PubChem number:24886396
Physical property data
1. Character:Colorless, slightly viscous liquid. It is a crystalline solid at low temperatures.
2. Density (g/mL,25/4℃):1.525~1.526
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC):24~26
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC, 101.325kPa, partially decomposed): 296～300
7. Refractive index:1.522～1.524
8. Flash Point (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. LDLo：300mg/kg;
Rabbit vein LDLo: 150mg/kg
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 51.99
2. Molar Volume (m3/mol）：170.9
3. isotonic specific volume (90.2K):431.6
4. Surface Tension (dyne/cm):40.6
5. Polarizability(10-24cm3): 20.61
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 33.2
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 166
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
None yet
Storage method
This product should be kept sealed.
Synthesis method
The salt-forming condensation of nicotinic acid and diethylamine produces nicotinamide diethylamine hydrochloride, which is then neutralized to obtain the product.
Purpose
Medical central nervous system respiratory stabilizer.
This product is a central stimulant and is also used in the poisoning of narcotics and other central depressants. Intraperitoneal injection of ratsLD50is272mg/kg.
False” sourcevalue=”24″ unitname=”cm” w:st=”on”>-24cm3):20.61
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 33.2
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 166
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
None yet
Storage method
This product should be kept sealed.
Synthesis method
The salt-forming condensation of nicotinic acid and diethylamine produces nicotinamide diethylamine hydrochloride, which is then neutralized to obtain the product.
Purpose
Medical central nervous system respiratory stabilizer.
This product is a central stimulant and is also used in the poisoning of narcotics and other central depressants. Intraperitoneal injection of ratsLD50is272mg/kg.
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