N-Benzyl-2-[(2,6-dimethylphenyl)amino]-N,N-diethyl-2-oxoethanaminium benzoate | CAS No. 3734-33-6

N-Benzyl-2-[(2,6-dimethylphenyl)amino]-N,N-diethyl-2-oxoethanaminium benzoate

Basic Information

CAS Number

3734-33-6

Molecular Formula

C28H34N2O3

Molecular Weight

446.58 g/mol

AD

Basic Physical Properties

Melting Point

164-168 °C

Boiling Point

555.91°C (rough estimate)

Solubility

methanol: 50 mg/mL, clear, colorless

Refractive Index

1.5800 (estimate)

CC[N+](CC)(Cc1ccccc1)CC(=O)Nc2c(cccc2C)C.c1ccc(cc1)C(=O)[O-]

InChI

InChI=1S/C21H28N2O.C7H6O2/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;8-7(9)6-4-2-1-3-5-6/h7-14H,5-6,15-16H2,1-4H3;1-5H,(H,8,9)

InChIKey

VWTINHYPRWEBQY-UHFFFAOYSA-N

LogP

4.42180

Complexity

473

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302
H315H315
H319H319
H335H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Stability

Stable. Incompatible with strong oxidizing agents.

Sensitiveness

对湿度敏感

Synonyms & References

English

  • AMMONIUM, BENZYLDIETHYL((2,6-XYLYCARBAMOYL)METHYL), BENZOATE
  • BENZYL-[(2,6-DIMETHYLPHENYLCARBAMOYL)METHYL]DIETHYLAMMONIUM BENZOATE BENZYLDIETHYL[(2,6-DIMETHYLPHENYLCARBAMOYL)METHYL]AMMONIUM BENZOATE BENZYLDIETHYL [(2,6-XYLYLCARBAMOYL)-AMMONIUM] BENZOATE
  • benzyldiethyl(2,6-xylylcarbamoylmethyl)ammonium benzoate
  • BITREX
  • BITREX(R)
  • BITREX (TM)
  • DENATONIUM BENZOATE
  • N-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-benzenemethanaminium benzoate
  • N,N-DIETHYL-N-[(2,6-DIMETHYLPHENYLCAR-BAMOYL)METHYL]BENZYLAMMONIUM BENZOATE
  • REJEXIT (R)
  • ,benzoate
  • Benzenemethanaminium,N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-,benzoate
  • benzyldiethyl((2,6-xylylcarbamoyl)methyl)-ammoniubenzoate
  • denatonium
  • denatoniumbenzoate,anhydrous
  • n-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-n,n-diethyl-benzenemethanaminiu
  • ths-839
  • Benzyl-[(2,6-dimethylphenylcarbamoyl)-methyl]diethylammonium benzoate
  • benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium,benzoate
  • Bitrex(TM) Solution
  • N-Benzyl-2-((2,6-dimethylphenyl)amino)-N,N-diethyl-2-oxoethanaminium benzoate
  • Aversion
  • Benzyldiethyl[(2,6-dimethylphenylcarbamoyl)methyl]ammonium Benzoate
  • phenylmethyl-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-diethylammonium benzoat
  • THS 839
  • N,N-Diethyl-N-[(2,6-dimethylphenylcarbamoyl)methyl]benzylammonium benzoate
  • Benzyldiethyl(2,6-xylylcarbamoylmeth
  • Lidocaine benzyl benzoate
  • Anispray
  • Gori
  • Denatonium (benzoate)

MDL Number

MFCD00031578

Customs Code

29242995

FAQ

What is N-Benzyl-2-[(2,6-dimethylphenyl)amino]-N,N-diethyl-2-oxoethanaminium benzoate (CAS: 3734-33-6)?

N-Benzyl-2-[(2,6-dimethylphenyl)amino]-N,N-diethyl-2-oxoethanaminium benzoate (CAS: 3734-33-6) is a quaternary ammonium salt with a complex structure. It is a white to off-white solid that is typically used in pharmaceutical and chemical research. The compound exhibits moderate solubility in water and organic solvents, and is known for its potential applications in drug development due to its structural versatility and functional groups.

What are the main uses of N-Benzyl-2-[(2,6-dimethylphenyl)amino]-N,N-diethyl-2-oxoethanaminium benzoate (CAS: 3734-33-6)?

This compound is primarily used in pharmaceutical research as an intermediate in the synthesis of various drugs and bioactive molecules. It also finds applications in organic chemistry for structural modifications and in the development of new chemical compounds. Its use in industrial and food sectors is limited, but it may be employed in specialized research contexts requiring specific chemical functionality.

Is N-Benzyl-2-[(2,6-dimethylphenyl)amino]-N,N-diethyl-2-oxoethanaminium benzoate (CAS: 3734-33-6) safe?

N-Benzyl-2-[(2,6-dimethylphenyl)amino]-N,N-diethyl-2-oxoethanaminium benzoate (CAS: 3734-33-6) is generally considered safe when handled properly. However, as with many chemical compounds, it should be used with caution. Protective measures such as gloves, goggles, and a fume hood are recommended. Safety data sheets (SDS) should be consulted for detailed handling and disposal guidelines to ensure compliance with safety standards.

How should N-Benzyl-2-[(2,6-dimethylphenyl)amino]-N,N-diethyl-2-oxoethanaminium benzoate (CAS: 3734-33-6) be stored?

N-Benzyl-2-[(2,6-dimethylphenyl)amino]-N,N-diethyl-2-oxoethanaminium benzoate (CAS: 3734-33-6) should be stored in a cool, dry place away from direct light. It is best kept in a tightly sealed container to prevent moisture ingress. Storage conditions should maintain a temperature below 25°C and low humidity to ensure stability and prolong shelf life. Avoid exposure to incompatible materials during storage.

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