2,2'-(Piperazine-1,4-diyl)diethanamine - ≥95% , CAS No.6531-38-0

CAS: 6531-38-0 Cat. No.: D589798 Molecular Weight: 172.27 EC Number: 229-428-8

GRADE & PURITY ≥95%

Synonyms

SMR000009715 | FT-0694469 | 2-[4-(2-amino-ethyl)-piperazin-1-yl]ethylamine | 2-[4-(2-Amino-ethyl)-piperazin-1-yl]-ethylamine | EINECS 229-428-8 | DTXSID6064400 | UNII-4H2W4524XV | 1-O-Hexadecyl-platelet-activating factor | L-651,582 | Zacoprida | 2,2'-(pi

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

SMR000009715 | FT-0694469 | 2-[4-(2-amino-ethyl)-piperazin-1-yl]ethylamine | 2-[4-(2-Amino-ethyl)-piperazin-1-yl]-ethylamine | EINECS 229-428-8 | DTXSID6064400 | UNII-4H2W4524XV | 1-O-Hexadecyl-platelet-activating factor | L-651, 582 | Zacoprida | 2, 2'-(pi

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CN(CCN1CCN)CCN
• IUPAC Name: 2-[4-(2-aminoethyl)piperazin-1-yl]ethanamine
• InChIKey: PAOXFRSJRCGJLV-UHFFFAOYSA-N
• INCHI: 1S/C8H20N4/c9-1-3-11-5-7-12(4-2-10)8-6-11/h1-10H2
• Isomeric SMILES: C1CN(CCN1CCN)CCN
• Molecular Weight: 172.27
• Reaxy-Rn: 108255
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108255&ln=

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

Associated Targets(Human)

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 172.270 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 172.169 Da
• Monoisotopic Mass: 172.169 Da
• Topological Polar Surface Area: 58.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 95.600
• 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