2-(Diethylamino)ethyl 4-aminobenzoate

Basic Information

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CAS Number

59-46-1

Molecular Formula

C13H20N2O2

Molecular Weight

236.32 g/mol

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

Basic Physical Properties

Physical State

Powder

Melting Point

60.0 to 64.0 deg-C

Boiling Point

373.6℃ at 760 mmHg

Flash Point

179.8 °C

Refractive Index

1.5430 (estimate)

SMILES

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

InChI

InChI=1S/C13H20N2O2/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

InChIKey

MFDFERRIHVXMIY-UHFFFAOYSA-N

LogP

1.7673999999999999

Topological Polar Surface Area

55.56 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

222

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(b) Class 6.1(b)

Toxicity

LD50 in mice (mg/kg): 195 i.p.; 45 i.v. (North, Urbach)

Synonyms & References

English

SAMPL3, G2
IDI1_000120
59-46-1
AB00053531
beta-(Diethylamino)ethyl 4-aminobenzoate
s4668
beta-Diethylaminoethyl 4-aminobenzoate
Benzoic acid, p-amino-, 2-(diethylamino)ethyl ester
GTPL4291
BBL005106
4-Aminobenzoic acid 2-(diethylamino) ethyl ester
Allocaine (Salt/Mix)
Procaina [INN-Spanish]
D0TZ1G
Q423741
Gerovital H-3
AB00053531-09
KBioSS_001318
2-Diethylaminoethyl 4-aminobenzoate
Novocain
STK177303
cid_5795
Prestwick0_000041
PROCAINE [MI]
CHEMBL569
Procainum
Epitope ID:115010
SMR000718771
BSPBio_000161
HSDB 3388
KBio2_006454

MDL Number

MFCD00007893

Customs Code

2922499100

FAQ

What is 2-(Diethylamino)ethyl 4-aminobenzoate (CAS: 59-46-1)?

2-(Diethylamino)ethyl 4-aminobenzoate, with CAS number 59-46-1, is a chemical compound commonly used in pharmaceutical and industrial applications. It has the molecular formula C13H21NO3 and is known for its amide structure, which contributes to its solubility and reactivity. The compound is typically a white to off-white solid at room temperature and is slightly soluble in water.

What are the main uses of 2-(Diethylamino)ethyl 4-aminobenzoate (CAS: 59-46-1)?

2-(Diethylamino)ethyl 4-aminobenzoate (CAS: 59-46-1) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of drugs. It also finds applications in research for developing new compounds and in industrial processes for its functional groups. Additionally, it is sometimes used in the production of dyes and as a stabilizer in certain chemical formulations.

Is 2-(Diethylamino)ethyl 4-aminobenzoate (CAS: 59-46-1) safe?

2-(Diethylamino)ethyl 4-aminobenzoate (CAS: 59-46-1) is generally considered safe when handled properly. However, it should be treated with caution as it may cause skin and eye irritation. Safety standards recommend using personal protective equipment, such as gloves and goggles, and ensuring good ventilation during handling. It is not classified as highly toxic but should be kept away from children and not used in food or consumer products.

How should 2-(Diethylamino)ethyl 4-aminobenzoate (CAS: 59-46-1) be stored?

2-(Diethylamino)ethyl 4-aminobenzoate (CAS: 59-46-1) should be stored in a cool, dry, and well-ventilated area, away from light. It is best kept in a sealed container to prevent moisture absorption and degradation. Storage at temperatures below 25°C is recommended to maintain stability and prolong shelf life. Avoid exposure to heat and humidity to ensure product integrity.