Structural formula

Business number	01G9
Molecular formula	C7H8N2O
Molecular weight	136.15
label	5-methylnicotinamide, 5-methylpyridine-3-carboxamide

• 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:70-57-5

MDL number:MFCD05664041

EINECS number:000-000-0

RTECS number:None

BRN number:4962976

PubChem ID:None

Physical property data

1. Properties: Uncertain

2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density (g/mL, air =1): Uncertain

4. Melting point (ºC): 166-168

5. Boiling point (ºC, normal pressure): Uncertain

6 . Boiling point (ºC, 5.2kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9 . Specific rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (%, V/V): Uncertain

19. Solubility : Unsure

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 38.09

2. Molar volume (cm³/mol): 117.6

3. Isotonic specific volume (90.2K ): 313.4

4. Surface tension (dyne/cm): 50.4

5. Polarizability (10-24cm3): 15.10

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.1

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 2

6. Topological molecule polar surface area 56

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 136

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

Storage method

None

Synthesis method

None

Purpose

None

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