(1-Methylpiperidin-2-yl)methanamine - ≥98% , CAS No.5298-72-6

CAS: 5298-72-6 Cat. No.: M1369678 Molecular Weight: 128.22 EC Number: 820-840-9

GRADE & PURITY ≥98%

Synonyms

(1-Methyl-2-piperidinyl)methanamine

Storage

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

Shipped In

Wet ice

Overview

1-(1-methylpiperidin-2-yl)methanamine is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 1-(1-methylpiperidin-2-yl)methanamine provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.

Specifications

Synonyms

(1-Methyl-2-piperidinyl)methanamine

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Canonical Smiles: CN1CCCCC1CN
• IUPAC Name: (1-methylpiperidin-2-yl)methanamine
• InChIKey: PPUMJZMVFCLQBI-UHFFFAOYSA-N
• INCHI: 1S/C7H16N2/c1-9-5-3-2-4-7(9)6-8/h7H,2-6,8H2,1H3
• Isomeric SMILES: CN1CCCCC1CN
• Molecular Weight: 128.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Trialkylamines Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - 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 piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
• 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: 128.220 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.131 Da
• Monoisotopic Mass: 128.131 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 83.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1