n,n-diethylnicotinamide n,n-diethylnicotinamide

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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.