WEHL-03 - ≥98% , CAS No.15827-80-2

CAS: 15827-80-2 Cat. No.: W412358 Formula: C₆H₉N₃ Molecular Weight: 123.16 PubChem CID: 3391848

GRADE & PURITY ≥98%

Synonyms

4-amino-1,2,5,6-tetrahydropyridine-3-carbonitrile | 4-Amino-3-cyano- 1,2,5,6-tetrahydropyridine | AKOS005602084 | FT-0651995 | A809916 | 4-amino-1,2,5,6-tetrahydropyridine-3-carbonitrile;3-Pyridinecarbonitrile,4-amino-1,2,5,6-tetrahydro-;(3S)-4-Imino-3-Pi

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

WEHL-03 is an active compound.

Specifications

Synonyms

4-amino-1,2,5,6-tetrahydropyridine-3-carbonitrile | 4-Amino-3-cyano- 1,2,5,6-tetrahydropyridine | AKOS005602084 | FT-0651995 | A809916 | 4-amino-1,2,5,6-tetrahydropyridine-3-carbonitrile;3-Pyridinecarbonitrile,4-amino-1,2,5,6-tetrahydro-;(3S)-4-Imino-3-Pi

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

WEHL-03 is an active compound.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CNCC(=C1N)C#N
• IUPAC Name: 4-amino-1,2,3,6-tetrahydropyridine-5-carbonitrile
• InChIKey: SNDHGRMHEXOIHX-UHFFFAOYSA-N
• INCHI: 1S/C6H9N3/c7-3-5-4-9-2-1-6(5)8/h9H,1-2,4,8H2
• Isomeric SMILES: C1CNCC(=C1N)C#N
• PubChem CID: 3391848
• Molecular Weight: 123.16

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydropyridines
• Alternative Parents: Nitriles Enamines Dialkylamines Azacyclic compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Hydropyridine - Azacycle - Secondary amine - Nitrile - Carbonitrile - Enamine - Secondary aliphatic amine - Organic nitrogen compound - Cyanide - 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 hydropyridines. These are compounds containing a hydrogenated pyridine ring (i.e. containing less than the maximum number of double bonds.).
• 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: 123.160 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 123.08 Da
• Monoisotopic Mass: 123.08 Da
• Topological Polar Surface Area: 61.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 184.000
• 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