3-(Piperazin-1-yl)propanoic acid

Base Information

• Chemical Name: 3-(Piperazin-1-yl)propanoic acid
• CAS No.: 27245-31-4
• Molecular Formula: C7H14 N2 O2
• Molecular Weight: 158.2
• Hs Code.: 2933599090
• European Community (EC) Number: 663-668-8
• DSSTox Substance ID: DTXSID90365352
• Mol file: 27245-31-4.mol

Synonyms:27245-31-4;3-(piperazin-1-yl)propanoic acid;3-Piperazin-1-yl-propionic acid;3-piperazin-1-ylpropanoic acid;3-(Piperazin-1-yl)propionic acid;3-(Piperazin-1-yl)-propionic acid;MFCD03161179;3-(1-PIPERAZINYL)PROPIONIC ACID;1-PIPERAZINEPROPANOIC ACID;BAS 03182887;n-carboxyethylpiperazine;Oprea1_742452;SCHEMBL905223;3-(piperazin-1-yl)propanoicacid;DTXSID90365352;RSEHHYMPNZWTGQ-UHFFFAOYSA-N;CBA24531;BBL029895;STL146724;AKOS000300803;AB13782;PS-3244;3-(1-Piperazinyl)propionic acid, 98%;NCGC00327671-01;BB 0219335;CS-0266536;FT-0677231;EN300-42486;AB01323101-02;A818972

Chemical Property of 3-(Piperazin-1-yl)propanoic acid

Chemical Property:

• Vapor Pressure: 7.52E-05mmHg at 25°C
• Melting Point: 71 °C
• Refractive Index: 1.486
• Boiling Point: 318.6°Cat760mmHg
• PKA: 4.55±0.10(Predicted)
• Flash Point: 146.5°C
• PSA: 52.57000
• Density: 1.112g/cm³
• LogP: -0.36700
• Storage Temp.: 2-8°C
• XLogP3: -3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 158.105527694
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

3-(Piperazin-1-yl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)CCC(=O)O

Technology Process of 3-(Piperazin-1-yl)propanoic acid

There total 1 articles about 3-(Piperazin-1-yl)propanoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 3-(1-N-piperazinyl)propionic acid (27245-31-4)

Guidance literature:

/BRN= 119862/;

Reference yield: 83.0%

5-bromo-5-[4-(4-iodo phenoxy)phenyl]pyrimidine-2,4,6-trione (852631-25-5) + 3-(1-N-piperazinyl)propionic acid (27245-31-4) → 5-[4-(2-carboxyethyl)piperazin-1-yl]-5-[4-(4-iodophenoxy)phenyl]pyrimidine-2,4,6-trione

Guidance literature:

In methanol; at 20 ℃; for 1h;

DOI:10.3390/ph10020049

Reference yield: 73.0%

5-bromo-5-[4-(4-bromophenoxy)phenyl]pyrimidine-2,4,6-trione (852631-24-4) + 3-(1-N-piperazinyl)propionic acid (27245-31-4) → 3-(4-{5-[4-(4-bromo-phenoxy)-phenyl]-2,4,6-trioxo-hexahydro-pyrimidin-5-yl}-piperazin-1-yl)-propionic acid

Guidance literature:

In methanol; for 6h; Heating;

DOI:10.1021/jm049145x