Structural formula

Business number	0137
Molecular formula	C21H34NO3Br
Molecular weight	428.40
label	2-([cyclohexylhydroxyphenylacetyl]oxy)-N,N-diethyl-N-methylethylammonium bromide, Anweiling, 2-([Cyclohexylhydroxyphenylacetyl]oxy)-N,N-diethyl-N-methylethanaminium bromide, Oxyphenonium, Oxydianil Yellow, Antrenil, Antrenyl, antrenylbromide, oxifenon, oxyfenon, oxyphenon, 2-(α-cyclohexylmandeloyloxy)ethyldiethyl(methyl)ammonium bromide

• 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:50-10-2

MDL number:MFCD00050259

EINECS number:200-010-7

RTECS number:BP7625000

BRN number:None

PubChem number:24898019

Physical property data

1. Character: Uncertain

2. Density (g/mL,25/4℃): Unsure

3. Relative vapor density (g/mL,AIR=1): Unsure

4. Melting point (ºC): Unsure

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

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

7. Refractive index:Not sure

8. Flash Point (ºC): Unsure

9. Specific optical rotation (º): Unsure

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

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

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

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

14. Critical temperature (ºC): Unsure

15. Critical pressure (KPa): Unsure

16. Oil and water (octanol/Log value of the partition coefficient for water: Uncertain

17. Explosion limit (%,V/V): Unsure

18. Lower explosion limit (%,V/V): Unsure

19. Solubility:Not sure

Toxicological data

1, acute toxicity: Human oral TDLo: 357ug/kg; Rat oral LD50 : 995mg/kg; Rat subcutaneous LD50: 786mg/kg; Rat intravenous LD50: 13200 ug/kg;
Rat intramuscularLD50: 400mg/kg; mouse abdominal cavity LD50: 95mg/kg; mouse subcutaneous LD50: 350mg/kg; mouse intravenous LD50: 30mg/kg; Rabbit subcutaneous LD50: 100mg/kg;
Rabbit VeinLD50: 30mg/kg; Guinea pig intravenous LDLo: 40mg /kg

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Hydrophobic parameter calculation reference Value (XlogP):

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 9

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA):46.5

7. Number of heavy atoms: 26

8. Surface charge: 0

9. Complexity: 409

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 1

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 2

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

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