5-((4-Ethylpiperazin-1-yl)methyl)pyridin-2-amine - ≥98% , CAS No.1180132-17-5

CAS: 1180132-17-5 Cat. No.: P635469 Molecular Weight: 220.31 EC Number: 806-688-6 PubChem CID: 45489910

GRADE & PURITY ≥98%

Synonyms

5-(4-ethyl-piperazin-1-ylmethyl)-pyridin-2-ylamine | 2-Amino-5-[(4-ethyl-1-piperazinyl)methyl]pyridine | AKOS011459478 | SY116161 | AC-30669 | MNJBMPQTXVZMFZ-UHFFFAOYSA-N | DTXSID60670506 | BCP15949 | SCHEMBL1126048 | 5-((4-ethylpiperazin-1-yl)methyl)pyri

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

5-(4-ethyl-piperazin-1-ylmethyl)-pyridin-2-ylamine | 2-Amino-5-[(4-ethyl-1-piperazinyl)methyl]pyridine | AKOS011459478 | SY116161 | AC-30669 | MNJBMPQTXVZMFZ-UHFFFAOYSA-N | DTXSID60670506 | BCP15949 | SCHEMBL1126048 | 5-((4-ethylpiperazin-1-yl)methyl)pyri

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCN1CCN(CC1)CC2=CN=C(C=C2)N
• IUPAC Name: 5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-amine
• InChIKey: MNJBMPQTXVZMFZ-UHFFFAOYSA-N
• INCHI: 1S/C12H20N4/c1-2-15-5-7-16(8-6-15)10-11-3-4-12(13)14-9-11/h3-4,9H,2,5-8,10H2,1H3,(H2,13,14)
• Isomeric SMILES: CCN1CCN(CC1)CC2=CN=C(C=C2)N
• Alternate CAS: 1180132-17-5
• PubChem CID: 45489910
• Molecular Weight: 220.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Aminopyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Aminopyridines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyridines and derivatives
• Alternative Parents: N-alkylpiperazines Aralkylamines Imidolactams Heteroaromatic compounds Trialkylamines Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyridine - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Imidolactam - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.
• 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

• Sensitivity: light sensitive
• Molecular Weight: 220.310 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 220.169 Da
• Monoisotopic Mass: 220.169 Da
• Topological Polar Surface Area: 45.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 201.000
• 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

References

1. Yu-Yin Wang, Ya-Jie Hu, Rui-Yu Sun, Yunyun Li, Xiao-Wei Zhang, Wen-Wen Zhang, Wen-Jing Deng, Xiu-Rui Hu, Wei Shanshan, Guoming Lin.  (2025)  A Polar Zinc-Based Water-Resistant White-Light Emission Organic Inorganic Hybrid Metal Halide.  INORGANIC CHEMISTRY,      [PMID:40676781] [10.1021/acs.inorgchem.5c02412]