N,N-Diethylnicotinamide N,N-Diethylnicotinamide

Structural formula

Business number	01A8
Molecular formula	C10H14N2O
Molecular weight	178.23
label	Nicethamidum, Nicotinic acid diethylamide

• 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.