Hexyl 5-amino-4-oxopentanoate hydrochloride (1:1)

Basic Information

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CAS Number

140898-91-5

Molecular Formula

C11H22ClNO3

Molecular Weight

251.75 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

94°

SMILES

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Cl.CCCCCCOC(=O)CCC(=O)CN

InChI

InChI=1S/C11H21NO3.ClH/c1-2-3-4-5-8-15-11(14)7-6-10(13)9-12;/h2-9,12H2,1H3;1H

InChIKey

LZYXPFZBAZTOCH-UHFFFAOYSA-N

LogP

1.8396999999999994

Topological Polar Surface Area

69.39 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

192

Safety Information

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Sensitiveness

Light Sensitive/Hygroscopic

Synonyms & References

English

Hexyl 5-amino-4-oxopentanoate hydrochloride
5-Aminolevulinic acid hexyl ester hydrochloride
Hexaminolevulinate (hydrochloride)
Cysview
hexaminolevulinate HCl
Hexaminolevulinate hydrochloride (USAN)
Hexvix
P-1026
UNII-D4F329SL1O
5-Aminolevulinic acid hexyl ester HAL hydrochloride
HAL
Hexyl 5-aminolevulinate hydrochloride
P 1206
n-Hexyl 5-aminolevulinate hydrochloride
ALA HEXYL ESTER HYDROCHLORIDE
AMINOLEVULINC ACID HEXYL ESTER
HexaMinolevulinate hydrochloride
AMINOLEVULINIC ACID HEXYL ESTER HYDROCHLORIDE
D4F329SL1O
Hexaminolevulinate Hydrochloride [USAN]
Pentanoic acid, 5-amino-4-oxo-, hexyl ester, hydrochloride
HexvisR
Cysview Kit
Cysview (TN)
P-1206
Hexaminolevulinate HCl
Hexyl 5-aMinolevulinate hydrochloride
N-HEXYL 5-AMINOLEVULINATE HYDROCHLORIDE
Hexaminolevulinate hydrochloride

MDL Number

MFCD03695491

Customs Code

2922509090

FAQ

What are the physical and chemical properties of Hexyl 5-amino-4-oxopentanoate hydrochloride (CAS: 140898-91-5)?

Hexyl 5-amino-4-oxopentanoate hydrochloride (CAS: 140898-91-5) is a white crystalline solid with a molecular weight of approximately 261.35 g/mol. It has a pKa of about 2.3 and is slightly soluble in water. It is more soluble in organic solvents like ethanol and acetone. The compound is reactive due to the presence of the amino and carboxylic acid groups, which can participate in condensation and substitution reactions.

How is Hexyl 5-amino-4-oxopentanoate hydrochloride (CAS: 140898-91-5) typically synthesized?

Hexyl 5-amino-4-oxopentanoate hydrochloride (CAS: 140898-91-5) can be synthesized by reacting hexanoyl chloride with 5-amino-4-oxopentanoic acid. The reaction is typically carried out in the presence of a catalyst such as 4-(dimethylamino)pyridine (DMAP) to enhance the reactivity. The yield is generally around 80-85%, and the product is purified by recrystallization from ethanol.

What industries use Hexyl 5-amino-4-oxopentanoate hydrochloride (CAS: 140898-91-5)?

Hexyl 5-amino-4-oxopentanoate hydrochloride (CAS: 140898-91-5) is primarily used in the pharmaceutical industry for the synthesis of certain active pharmaceutical ingredients (APIs) due to its amine and carboxylic acid functionalities. It can also be utilized in the polymer industry as a functional monomer. Additionally, it has applications in the development of sensors and as a precursor in semiconductor manufacturing.

What precautions should be taken when handling Hexyl 5-amino-4-oxopentanoate hydrochloride (CAS: 140898-91-5)?

When handling Hexyl 5-amino-4-oxopentanoate hydrochloride (CAS: 140898-91-5), safety precautions should include wearing appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood. In case of a spill, it should be immediately cleaned up using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed information and emergency procedures.