(4-Methylpyridin-2-yl)methanamine - ≥97% , CAS No.129768-95-2

CAS: 129768-95-2 Cat. No.: M586928 Molecular Weight: 122.17 EC Number: 835-058-3

GRADE & PURITY ≥97%

Synonyms

4-METHYL-2-PYRIDINEMETHANAMINE | PS-5699 | AKOS006343724 | SY032971 | MFCD06213857 | 2-aminomethyl-4-methyl pyridine | SCHEMBL318010 | QVDFBCYBLHPIOI-UHFFFAOYSA-N | (4-methyl-2-pyridyl) methanamine | (4-methylpyridin-2-yl)methanamine, AldrichCPR | 1-(4-Me

Storage

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

Shipped In

Wet ice

Specifications

Synonyms

4-METHYL-2-PYRIDINEMETHANAMINE | PS-5699 | AKOS006343724 | SY032971 | MFCD06213857 | 2-aminomethyl-4-methyl pyridine | SCHEMBL318010 | QVDFBCYBLHPIOI-UHFFFAOYSA-N | (4-methyl-2-pyridyl) methanamine | (4-methylpyridin-2-yl)methanamine, AldrichCPR | 1-(4-Me

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

• Canonical Smiles: CC1=CC(=NC=C1)CN
• IUPAC Name: (4-methylpyridin-2-yl)methanamine
• InChIKey: QVDFBCYBLHPIOI-UHFFFAOYSA-N
• INCHI: 1S/C7H10N2/c1-6-2-3-9-7(4-6)5-8/h2-4H,5,8H2,1H3
• Isomeric SMILES: CC1=CC(=NC=C1)CN
• Alternate CAS: 129768-95-2
• Molecular Weight: 122.17
• Reaxy-Rn: 9321433
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9321433&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass 2-pyridylmethylamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: 2-pyridylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-pyridylmethylamines
• Alternative Parents: Methylpyridines Aralkylamines Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-pyridylmethylamine - Methylpyridine - Aralkylamine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-pyridylmethylamines. These are aromatic heterocyclic compounds contaning a pyridine ring which is substituted at the 2-position with a methylamine.
• 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: 122.170 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 122.084 Da
• Monoisotopic Mass: 122.084 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 83.000
• 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