1-Propylpiperazine - ≥97% , CAS No.21867-64-1

CAS: 21867-64-1 Cat. No.: P588168 Molecular Weight: 128.22 PubChem CID: 415812

GRADE & PURITY ≥97%

Synonyms

1-propylpiperazine | 1-propyl-piperazine | DTXSID30944468 | SY009603 | InChI=1/C7H16N2/c1-2-5-9-6-3-8-4-7-9/h8H,2-7H2,1H3 | NSC 73112 | QLEIDMAURCRVCX-UHFFFAOYSA- | SCHEMBL178388 | Piperazine, 1-propyl- | 1-n-Propylpiperazine | D87901 | n-n-propylpiperazi

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

1-propylpiperazine | 1-propyl-piperazine | DTXSID30944468 | SY009603 | InChI=1/C7H16N2/c1-2-5-9-6-3-8-4-7-9/h8H, 2-7H2, 1H3 | NSC 73112 | QLEIDMAURCRVCX-UHFFFAOYSA- | SCHEMBL178388 | Piperazine, 1-propyl- | 1-n-Propylpiperazine | D87901 | n-n-propylpiperazi

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCCN1CCNCC1
• IUPAC Name: 1-propylpiperazine
• InChIKey: QLEIDMAURCRVCX-UHFFFAOYSA-N
• INCHI: 1S/C7H16N2/c1-2-5-9-6-3-8-4-7-9/h8H,2-7H2,1H3
• Isomeric SMILES: CCCN1CCNCC1
• PubChem CID: 415812
• Molecular Weight: 128.22

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 Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-alkylpiperazine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - 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

• Molecular Weight: 128.220 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 128.131 Da
• Monoisotopic Mass: 128.131 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 67.300
• 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

References

1. Yue-Yu Ma, Hong-Mei Pan, Dong-Yang Li, Shuang Wu, Zhihong Jing.  (2022)  Structural Evolution and Photoluminescence Properties of Two-dimensional Lead Halide Perovskites.  ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE,  648  (8): (e202100334).  [PMID:] [10.1002/zaac.202100334]