Structural formula
| Business number | 01G9 |
|---|---|
| Molecular formula | C7H8N2O |
| Molecular weight | 136.15 |
| label |
5-methylnicotinamide, 5-methylpyridine-3-carboxamide |
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
extended-reading:https://www.bdmaee.net/dibutylstanniumdichloride/extended-reading:https://www.bdmaee.net/cas-10584-98-2/extended-reading:https://www.newtopchem.com/archives/44352extended-reading:https://www.newtopchem.com/archives/44906extended-reading:https://www.bdmaee.net/nt-cat-k2097-catalyst-cas127-08-2-newtopchem/extended-reading:https://www.bdmaee.net/dabco-bl-11-catalyst-cas3033-62-3-evonik-germany/extended-reading:https://www.morpholine.org/flumorph/extended-reading:https://www.morpholine.org/jeffcat-zf-10/extended-reading:https://www.morpholine.org/morpholine/extended-reading:https://www.bdmaee.net/dabco-xd-104-dabco-tertiary-amine-catalyst-catalyst-xd-104/