2-Hydroxy-5-{1-hydroxy-2-[(4-phenyl-2-butanyl)amino]ethyl}benzamide hydrochloride (1:1)

Basic Information

View in Editor

CAS Number

32780-64-6

Molecular Formula

C19H25ClN2O3

Molecular Weight

364.87 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Powder

Melting Point

190-193°C

Boiling Point

No data available

Flash Point

No data available

Solubility

H2O: soluble

Vapor Pressure

No data available

SMILES

View in Editor

CC(CCc1ccccc1)NCC(c2ccc(c(c2)C(=O)N)O)O.Cl

InChI

InChI=1S/C19H24N2O3.ClH/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24;/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24);1H

InChIKey

WQVZLXWQESQGIF-UHFFFAOYSA-N

LogP

2.5572000000000012

Topological Polar Surface Area

95.58000000000001 Å²

Hydrogen Bond Donor/Acceptor

5 / 5

Complexity

385

Safety Information

View Safety Information

Hazard Statement

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

Toxicity

LD50 in male, female mice, male, female rats (mg/kg): 114, 120, 113, 107 i.p.; 47, 54, 60, 53 i.v.; 1450, 1800, 4550, 4000 orally (Shimpo)

Synonyms & References

English

Labetalol hydrochloride
5-(1-hydroxy-2-((1-methyl-3-phenylpropyl)amino)ethyl)salicylamidehydrochlori
5-(1-hydroxy-2-((1-methyl-3-phenylpropyl)amino)ethyl)-salicylamidhydroch
ah5158a
amipress
ipolab
labelol
labrocol
normadate
2-Hydroxy-5-(1-hydroxy-2-((4-phenylbutan-2-yl)amino)ethyl)benzamide hydrochloride
Labetalol HCl
LABETALOL HYDROCHLORIDE, USP
Labetalol-d3 Hydrochloride (mixture of diastereomers)
2-Hydroxy-5-(1-hydroxy-2-(4-phenylbutan-2-ylaMino)ethyl)benzaMide HCl
2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide,hydrochloride
2-Hydroxy-5-[1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl]benzamide hydrochloride
AH-5158 hydrochloride
Sch-15719W
2-hydroxy-5-(1-hydroxy-2-((4-phenylbutan-2-yl)amino)ethyl)benzamide
hydrochloride (1:1)

MDL Number

MFCD00057663

FAQ

What are the physical and chemical properties of 2-Hydroxy-5-{1-hydroxy-2-[(4-phenyl-2-butanyl)amino]ethyl}benzamide hydrochloride (CAS: 32780-64-6)?

2-Hydroxy-5-{1-hydroxy-2-[(4-phenyl-2-butanyl)amino]ethyl}benzamide hydrochloride is a crystalline compound with a molecular weight of approximately 434.75 g/mol. It has a pKa of about 4.25. The compound is soluble in water and organic solvents like ethanol and chloroform. It exhibits good stability under normal conditions but should avoid strong bases and heating due to potential hydrolysis.

How is 2-Hydroxy-5-{1-hydroxy-2-[(4-phenyl-2-butanyl)amino]ethyl}benzamide hydrochloride (CAS: 32780-64-6) typically synthesized?

2-Hydroxy-5-{1-hydroxy-2-[(4-phenyl-2-butanyl)amino]ethyl}benzamide hydrochloride can be synthesized through a multi-step process involving reactions such as amidation, alkylation, and hydrolysis. Commonly, the key intermediates include phenyl-2-butylamine and hydroxyethylbenzamide, which are reacted sequentially under conditions optimized for high yield and selectivity.

What industries use 2-Hydroxy-5-{1-hydroxy-2-[(4-phenyl-2-butanyl)amino]ethyl}benzamide hydrochloride (CAS: 32780-64-6)?

2-Hydroxy-5-{1-hydroxy-2-[(4-phenyl-2-butanyl)amino]ethyl}benzamide hydrochloride is primarily used in the pharmaceutical industry for its biological activity. It may also find applications in polymer synthesis and as a chemical intermediate in the development of new materials. Additionally, it can be used in sensor development for detecting specific compounds due to its reactivity and stability characteristics.

What precautions should be taken when handling 2-Hydroxy-5-{1-hydroxy-2-[(4-phenyl-2-butanyl)amino]ethyl}benzamide hydrochloride (CAS: 32780-64-6)?

When handling 2-Hydroxy-5-{1-hydroxy-2-[(4-phenyl-2-butanyl)amino]ethyl}benzamide hydrochloride, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure to vapors. Spills should be cleaned up using appropriate absorbents, and proper disposal methods should be followed. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.