Methyl 3-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propanoate hydrochloride (1:1) | CAS No. 81161-17-3

Methyl 3-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propanoate hydrochloride (1:1)

Basic Information

CAS Number

81161-17-3

Molecular Formula

C16H26ClNO4

Molecular Weight

331.84 g/mol

AD

Basic Physical Properties

Melting Point

89.0-90.6 °C

Density

1.026

Solubility

H2O: soluble12mg/mL

CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O.Cl

InChI

InChI=1S/C16H25NO4.ClH/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3;/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3;1H

InChIKey

GEKNCWBANDDJJL-UHFFFAOYSA-N

LogP

1.9517000000000007

Topological Polar Surface Area

67.79 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

288

Safety Information

View Safety Information

GHS Hazard Pictograms

H319H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

  • Esmolol HCL
  • ASL-8052
  • DTXCID8028929
  • AKOS015895316
  • Brevibloc in plastic container
  • Esmolol hydrochloride
  • ESMOLOL HYDROCHLORIDE (USP MONOGRAPH)
  • FT-0667970
  • 1-(3-methylphenyl)piperazinedihydrochloridehydrate
  • 81161-17-3, 81147-92-4(free base)
  • FT-0601541
  • ESMOLOL HYDROCHLORIDE [USP-RS]
  • CCG-220890
  • ESMOLOL HYDROCHLORIDE [ORANGE BOOK]
  • Esmolol HCL; Brevibloc; ASL-8052; Asl 8052; ASL 805
  • s4100
  • (+-)-esmolol hydrochloride
  • NC00222
  • ESMOLOL HYDROCHLORIDE [MI]
  • MLS001401393
  • ESMOLOL HYDROCHLORIDE [WHO-DD]
  • BENZENEPROPANOIC ACID, 4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-, METHYL ESTER, HYDROCHLORIDE, (+/-)-
  • UNII-V05260LC8D
  • ESMOLOL HYDROCHLORIDE IN PLASTIC CONTAINER
  • ESMOLOL HYDROCHLORIDE [VANDF]
  • methyl 3-(4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)propanoate hydrochloride
  • CLOL
  • Esmolol hydrochloride, >=98% (HPLC), solid
  • ESMOLOL HYDROCHLORIDE (MART.)
  • D00644
  • SW197602-3

MDL Number

MFCD00941432

Customs Code

2922199090

FAQ

What is Methyl 3-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propanoate hydrochloride (1:1) (CAS: 81161-17-3)?

Methyl 3-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propanoate hydrochloride (1:1) is a chemical compound with the CAS number 81161-17-3. It is a methyl ester derivative of a substituted propanoic acid, containing a hydroxypropoxy group and an isopropylamino substituent. This compound is known for its stability and is commonly used in research and pharmaceutical applications due to its functional groups and potential biological activity.

What are the main uses of Methyl 3-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propanoate hydrochloride (1:1) (CAS: 81161-17-3)?

Methyl 3-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propanoate hydrochloride (1:1) is primarily used in pharmaceutical research for its potential as a drug candidate. It may also find applications in the synthesis of other organic compounds, and in some cases, is used in industrial processes or as a chemical intermediate. Its unique structural features make it valuable in the development of new treatments and materials.

Is Methyl 3-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propanoate hydrochloride (1:1) (CAS: 81161-17-3) safe?

Methyl 3-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propanoate hydrochloride (1:1) is generally considered safe when handled properly. However, as with many chemical compounds, it should be used with appropriate safety measures, such as wearing gloves and a lab coat, and working in a well-ventilated area. Safety data sheets and regulatory guidelines should be consulted for detailed handling and exposure precautions.

How should Methyl 3-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propanoate hydrochloride (1:1) (CAS: 81161-17-3) be stored?

Methyl 3-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propanoate hydrochloride (1:1) should be stored in a cool, dry, and dark place, away from moisture and light. It is typically kept in a sealed container at a temperature below 25°C to maintain stability. Proper storage is essential to prevent degradation and ensure the compound remains effective for its intended use.

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