2-(Diethylamino)ethyl 4-aminobenzoate hydrochloride (1:1)

Basic Information

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CAS Number

51-05-8

Molecular Formula

C13H21ClN2O2

Molecular Weight

272.78 g/mol

EINECS

200-077-2

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Melting Point

155-156?°C

Boiling Point

195-196°C 17mm

Density

1.1761 (rough estimate)

Water Solubility

soluble

Flash Point

195-196°C/17mm

Refractive Index

1.5270 (estimate)

Vapor Pressure

No data available

SMILES

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CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.Cl

InChI

InChI=1S/C13H20N2O2.ClH/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3;1H

InChIKey

HCBIBCJNVBAKAB-UHFFFAOYSA-N

LogP

2.1891999999999996

Topological Polar Surface Area

55.56 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

222

Safety Information

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GHS Hazard Pictograms

H301

H317

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

Hazard Class

Class 6.1 Class 6.1

Storage Conditions

2-8°C

Stability

Stable. Incompatible with strong oxidizing agents.

Sensitiveness

Air Sensitive

Toxicity

LD50 in mice (mg/kg): 660 ± 60 s.c. (Goldenthal)

RTECS

DG2275000

Synonyms & References

English

A1163
LP00966
NSC-757280
NCGC00261651-01
12663-50-2
2-Diethylaminoethyl p-aminobenzoate hydrochloride
CCG-39234
Procaine hydrochloride [USP:JAN]
Procaine hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material
Lactocaine
Atoxicocaine
Tox21_110248_1
LS-35780
2-(diethylamino)ethyl 4-aminobenzoate hydrochloride
Gero
PROCAINE HYDROCHLORIDE [WHO-DD]
Z104476766
NCGC00255993-01
SR-01000076096-6
Procaine hydrochloride, European Pharmacopoeia (EP) Reference Standard
Syncaine
Medaject
Procaine (hydrochloride)
Tox21_110248
Novocaine HCl
Procaine hydrochloride [JAN]
Topokain
Novocain
MLS001336055
NCGC00094267-05
Novocainum

MDL Number

MFCD00013000

EC Number

200-077-2

Customs Code

2922499100

FAQ

What is 2-(Diethylamino)ethyl 4-aminobenzoate hydrochloride (1:1) (CAS: 51-05-8)?

2-(Diethylamino)ethyl 4-aminobenzoate hydrochloride (1:1) is a chemical compound with the CAS number 51-05-8. It is an organic salt formed by the reaction of 2-(diethylamino)ethyl 4-aminobenzoate with hydrochloric acid in a 1:1 molar ratio. This compound is commonly used as a pharmaceutical intermediate and exhibits solubility in water and organic solvents.

What are the main uses of 2-(Diethylamino)ethyl 4-aminobenzoate hydrochloride (1:1) (CAS: 51-05-8)?

This compound is primarily used in the pharmaceutical industry as a precursor for the synthesis of antihistamines and other drugs. It also finds applications in research for developing new therapeutic agents and in industrial processes for chemical synthesis. Its utility stems from its structural versatility and reactivity in organic reactions.

Is 2-(Diethylamino)ethyl 4-aminobenzoate hydrochloride (1:1) (CAS: 51-05-8) safe?

The safety of 2-(Diethylamino)ethyl 4-aminobenzoate hydrochloride (1:1) (CAS: 51-05-8) depends on exposure conditions. It is generally considered safe when handled properly, but standard safety precautions should be followed, such as wearing gloves and goggles. Always refer to safety data sheets and adhere to OSHA guidelines for safe handling.

How should 2-(Diethylamino)ethyl 4-aminobenzoate hydrochloride (1:1) (CAS: 51-05-8) be stored?

Store 2-(Diethylamino)ethyl 4-aminobenzoate hydrochloride (1:1) (CAS: 51-05-8) in a cool, dry place away from direct light. It should be kept in a sealed container to prevent moisture absorption. Maintain storage conditions between 15°C to 25°C and ensure humidity levels are below 60% for optimal stability and shelf life.