1-(3-Chlorophenyl)-2-[(2-methyl-2-propanyl)amino]-1-propanone hydrochloride (1:1) | CAS No. 31677-93-7

1-(3-Chlorophenyl)-2-[(2-methyl-2-propanyl)amino]-1-propanone hydrochloride (1:1)

Basic Information

CAS Number

31677-93-7

Molecular Formula

C13H19Cl2NO

Molecular Weight

276.21 g/mol

AD

Basic Physical Properties

Melting Point

233-234 ºC

Water Solubility

Soluble in water (>25 mg/ml), ethanol 193mg/ml, 0.1 N HCl 333 mg/ml

Solubility

ethanol: 193 mg/mL solutions may be stored for several days at 4 °C.

CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C.Cl

InChI

InChI=1S/C13H18ClNO.ClH/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10;/h5-9,15H,1-4H3;1H

InChIKey

HEYVINCGKDONRU-UHFFFAOYSA-N

LogP

3.7211000000000025

Topological Polar Surface Area

29.1 Ų

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

247

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • DTXSID6044561
  • NCGC00260851-01
  • m-Chloro-alpha-tert-butylaminopropiophenone hydrochloride
  • BCP22394
  • BUPROPION HYDROCHLORIDE (MART.)
  • 1-Propanone, 1-(3-chlorophenyl)-2-((1,1-dimethylethyl)amino)-, hydrochloride, (+-)-
  • Budeprion XL 300
  • BW 323
  • BCP0726000049
  • BUPROPION HYDROCHLORIDE [USP IMPURITY]
  • Wellbutrin (TN)
  • Quomem
  • Tox21_110621
  • SMR000058423
  • BUDEPRIONXL
  • 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one hydrochloride
  • NS00088186
  • (+/-)-1-(3-Chlorophenyl)-2-[(1,1-dimethylethyl)amino]-1-propanone hydrochloride
  • BUPROPION HYDROCHLORIDE (USP-RS)
  • (2RS)-1-(3-Chlorophenyl)-2-((1,1-dimethylethyl)amino)propan-1-one monohydrochloride
  • Bupropion Hydrochloride SR
  • BUPROPION HYDROCHLORIDE [ORANGE BOOK]
  • ForfivoXL
  • NC00161
  • BUPROPION HYDROCHLORIDE [USP-RS]
  • CCG-100911
  • NCGC00093650-02
  • buPROpion HydrochlorideXL
  • Bupropion HydrochlorideER
  • Wellbutrin SR
  • 2-(tert-Butylamino)-3'-chloropropiophenone hydrochloride

MDL Number

MFCD00055209

Customs Code

2922399090

FAQ

What is 1-(3-Chlorophenyl)-2-[(2-methyl-2-propanyl)amino]-1-propanone hydrochloride (CAS: 31677-93-7)?

1-(3-Chlorophenyl)-2-[(2-methyl-2-propanyl)amino]-1-propanone hydrochloride (CAS: 31677-93-7) is a synthetic organic compound with the molecular formula C12H16Cl2NO·HCl. It is a white crystalline solid, commonly used as an intermediate in pharmaceutical synthesis. The compound exhibits solubility in polar solvents and is characterized by its chlorinated aromatic ring and tert-butylamino functional groups, making it relevant in drug development and chemical research.

What are the main uses of 1-(3-Chlorophenyl)-2-[(2-methyl-2-propanyl)amino]-1-propanone hydrochloride (CAS: 31677-93-7)?

This compound is primarily used in pharmaceuticals as a key intermediate for synthesizing antihistamines and other drug compounds. It also finds applications in agrochemicals and organic synthesis. Its unique structure enables it to participate in various chemical reactions, supporting research in medicinal chemistry and industrial processes. The CAS number 31677-93-7 ensures accurate identification in scientific and commercial contexts.

Is 1-(3-Chlorophenyl)-2-[(2-methyl-2-propanyl)amino]-1-propanone hydrochloride (CAS: 31677-93-7) safe?

Safety of 1-(3-Chlorophenyl)-2-[(2-methyl-2-propanyl)amino]-1-propanone hydrochloride (CAS: 31677-93-7) depends on handling conditions. It may cause skin or eye irritation and is harmful if inhaled or ingested. Precautions include wearing protective gloves, goggles, and a lab coat, and working in a well-ventilated area. Always follow OSHA and EPA guidelines for proper disposal and use of personal protective equipment (PPE) to ensure safety.

How should 1-(3-Chlorophenyl)-2-[(2-methyl-2-propanyl)amino]-1-propanone hydrochloride (CAS: 31677-93-7) be stored?

Store 1-(3-Chlorophenyl)-2-[(2-methyl-2-propanyl)amino]-1-propanone hydrochloride (CAS: 31677-93-7) in a cool, dry, and dark place, ideally at 20°C. Keep it in a sealed, airtight container to prevent moisture absorption. Avoid exposure to light and ensure storage in a well-ventilated area. Maintain stability by protecting from humidity and thermal fluctuations, as specified by its chemical properties and safety standards.

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