methacholine bromide
Structural formula
| Business number | 049J |
|---|---|
| Molecular formula | C8H18BrNO2 |
| Molecular weight | 240.15 |
| label |
2-(acetoxy)-N,N,N-trimethyl-1-propyl ammonium bromide, Acetyl-beta-methylcholine bromide, methacholine bromide, methacholine bromide, Acetyl-beta-methylcholine bromide, Acetyl-beta-methylcholine bromide (2-HYDROXYPROPYL), 1-Propanaminium,2-(acetyloxy)-N,N,N-trimethyl-bromide, 2-(acetyloxy)-N,N,N-trimethyl-1-propanaminiubromide, Mecholyl bromide, Trimethyl-β-acetoxypropylammonium bromide |
Numbering system
CAS number:333-31-3
MDL number:MFCD00011816
EINECS number:206-372-2
RTECS number:None
BRN number:6098010
PubChem number:24890626
Physical property data
1. Physical property data
Characteristics: white crystal, hygroscopic.
Density (g/mL, 25/4℃): Not available
Relative vapor density (g/mL, air=1) : Not available
Melting point (ºC): 147-149
Boiling point (ºC, normal pressure): Not available
Boiling point (ºC, 5.2kPa): Not available
Refractive index: Not available
Flash point (ºC ): Not available
Specific rotation (º): Not available
Autoignition point or ignition temperature (ºC): Not available
Vapor pressure (kPa, 25ºC): Not available
Saturated vapor pressure (kPa, 60ºC): Not available
Heat of combustion (KJ/mol): Not available
Critical temperature (ºC): Not available
Critical pressure (KPa): Not available
Log value of oil-water (octanol/water) partition coefficient: Not available
Explosion upper limit (%, V/V): Not available
Lower explosion limit (%, V/V): Not available
Solubility: Easily soluble in water , ethanol and glycerol.
Toxicological data
2. Toxicological data:
Acute toxicity: Not available.
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
None
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: 3
4.Number of rotatable chemical bonds: 4
5. Number of tautomers: None
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms :12
8. Surface charge: 0
9. Complexity: 138
10. Number of isotope atoms: 0
11 .Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 2
Properties and stability
1. Irritating.
Storage method
Seal and store in dry condition at -0℃.
Synthesis method
None
Purpose
Biochemical research.
