1,3-Propanediyl bis(4-aminobenzoate)

Basic Information

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CAS Number

57609-64-0

Molecular Formula

C17H18N2O4

Molecular Weight

314.34 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

Melting Point

126.0 to 130.0 deg-C

Boiling Point

454.02°C (rough estimate)

Density

1.14 g/mL at 25 °C

Flash Point

257.4°C

Refractive Index

1.5486 (estimate)

SMILES

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C1=CC(=CC=C1C(=O)OCCCOC(=O)C2=CC=C(C=C2)N)N

InChI

InChI=1S/C17H18N2O4/c18-14-6-2-12(3-7-14)16(20)22-10-1-11-23-17(21)13-4-8-15(19)9-5-13/h2-9H,1,10-11,18-19H2

InChIKey

YPACMOORZSDQDQ-UHFFFAOYSA-N

LogP

2.2549

Topological Polar Surface Area

104.64 Å²

Hydrogen Bond Donor/Acceptor

4 / 6

Complexity

350

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

1,3-Bis(4-aminobenzoyloxy)propane
YPACMOORZSDQDQ-UHFFFAOYSA-N
Q27269893
Trimethylene Bis(4-aminobenzoate)
UNII-8860R9ORQR
1,3-Propanediol, 1,3-bis(4-aminobenzoate)
DTXCID1024960
CS-0197299
VIBRACURE A 157
D92496
TRIMETHYLENE GLYCOL BIS(4-AMINOBENZOATE)
CUAMINE CUA 4
EINECS 260-847-9
MFCD00129765
TRIMETHYLENE DI-P-AMINOBENZOATE
A832284
3-(4-aminophenyl)carbonyloxypropyl 4-azanylbenzoate
1,3-propanediol di-(p-aminobenzoate)
1,3-Propanediol, bis(4-aminobenzoate)
W-105455
Trimethylene glycol di(p-aminobenzoate)
T1646
1,3-PROPANEDIYL BIS(P-AMINOBENZOATE)
AS-63219
Propane-1,3-diyl bis(4-aminobenzoate)
CHEMBL3183528
Polacure 740M
Tox21_301701
CAS-57609-64-0
3-(4-aminobenzoyloxy)propyl 4-aminobenzoate
Bis(p-aminobenzoic acid)trimethylene este

MDL Number

MFCD00129765

Customs Code

2922499990

FAQ

What are the physical and chemical properties of 1,3-Propanediyl bis(4-aminobenzoate) (CAS: 57609-64-0)?

1,3-Propanediyl bis(4-aminobenzoate) is a white crystalline solid with a molecular weight of approximately 288.25 g/mol. It is slightly soluble in water but has good solubility in common organic solvents like methanol and ethanol. Chemically, it is stable under normal conditions but reacts readily with acids to form salts. It also exhibits good reactivity in esterification reactions and can be used as a monomer in polymeric systems.

How is 1,3-Propanediyl bis(4-aminobenzoate) (CAS: 57609-64-0) typically synthesized?

1,3-Propanediyl bis(4-aminobenzoate) is typically synthesized via the condensation of 4-aminobenzoic acid with 1,3-propanediol. The reaction proceeds in aqueous medium with a mild base catalyst like sodium hydroxide. The process yields a diester compound with good selectivity, and the reaction completion is monitored by thin-layer chromatography (TLC).

What industries use 1,3-Propanediyl bis(4-aminobenzoate) (CAS: 57609-64-0)?

1,3-Propanediyl bis(4-aminobenzoate) finds application in various industries. It is used in the pharmaceutical sector for the synthesis of certain drugs. In the polymer industry, it can be used as a monomer in the production of biodegradable polymers. Additionally, it is utilized in the fabrication of sensors and semiconductors due to its functional groups.

What precautions should be taken when handling 1,3-Propanediyl bis(4-aminobenzoate) (CAS: 57609-64-0)?

When handling 1,3-Propanediyl bis(4-aminobenzoate), wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the work is conducted in a well-ventilated area or a fume hood to prevent inhalation of dust or vapors. Store the compound in a cool, dry place away from direct sunlight. In case of a spill, clean up immediately using appropriate absorbent materials and follow the safety data sheet (SDS) guidelines for disposal.