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–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/
