3-(1-Piperazinyl)propionic acid - ≥95%(HPLC) , CAS No.27245-31-4

CAS: 27245-31-4 Cat. No.: P169191 Formula: C₇H₁₄N₂O₂ Molecular Weight: 158.2 Beilstein Registry Number: 125453 EC Number: 663-668-8 PubChem CID: 1837374

GRADE & PURITY ≥95%(HPLC)

Synonyms

MFCD03161179 | Oprea1_742452 | DTXSID90365352 | RSEHHYMPNZWTGQ-UHFFFAOYSA-N | AKOS000300803 | n-carboxyethylpiperazine | A818972 | BBL029895 | 3-(Piperazin-1-yl)propionic acid | 3-(Piperazin-1-yl)-propionic acid | SCHEMBL905223 | 3-(piperazin-1-yl)propano

Storage

Room temperature

Shipped In

Normal

Overview

3-(Piperazin-1-Yl)Propanoic Acid is a useful research chemical.

Specifications

Synonyms

MFCD03161179 | Oprea1_742452 | DTXSID90365352 | RSEHHYMPNZWTGQ-UHFFFAOYSA-N | AKOS000300803 | n-carboxyethylpiperazine | A818972 | BBL029895 | 3-(Piperazin-1-yl)propionic acid | 3-(Piperazin-1-yl)-propionic acid | SCHEMBL905223 | 3-(piperazin-1-yl)propano

Specifications & Purity

≥95%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥95%(HPLC)

Names and Identifiers

Pubchem Sid

504760645

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760645

Canonical Smiles

C1CN(CCN1)CCC(=O)O

IUPAC Name

3-piperazin-1-ylpropanoic acid

InChIKey

RSEHHYMPNZWTGQ-UHFFFAOYSA-N

INCHI

1S/C7H14N2O2/c10-7(11)1-4-9-5-2-8-3-6-9/h8H,1-6H2,(H,10,11)

Isomeric SMILES

C1CN(CCN1)CCC(=O)O

WGK Germany

3

PubChem CID

1837374

Molecular Weight

158.2

Beilstein

125453

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylpiperazines
• Alternative Parents: Trialkylamines Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-alkylpiperazine - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Amino acid - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Amine - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-alkylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an alkyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 199-200° C
• Molecular Weight: 158.200 g/mol
• XLogP3: -3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 158.106 Da
• Monoisotopic Mass: 158.106 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 132.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 27245-31-4, the molecular formula is C7H14N2O2, and the molecular weight is 158.2 g/mol. InChIKey RSEHHYMPNZWTGQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.