3-Amino-4-methylpyridine - ≥98% , CAS No.3430-27-1

CAS: 3430-27-1 Cat. No.: A122386 Molecular Weight: 108.14 Beilstein Registry Number: 22(5)9,344 EC Number: 608-968-1

GRADE & PURITY ≥98%

Synonyms

9HN55RQ07B | AC-1106 | 3-Amino-4-methylpyridine, 97% | AF-807/00322016 | 3-Amino-4-picoline | J-400347 | 4-Methyl-pyridin-3-ylamine | 4-methylpyridin-3-ylamine | IBKMZYWDWWIWEL-UHFFFAOYSA- | UNII-9HN55RQ07B | Z625801040 | 5-amino-4-picoline | FT-0650363 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

9HN55RQ07B | AC-1106 | 3-Amino-4-methylpyridine, 97% | AF-807/00322016 | 3-Amino-4-picoline | J-400347 | 4-Methyl-pyridin-3-ylamine | 4-methylpyridin-3-ylamine | IBKMZYWDWWIWEL-UHFFFAOYSA- | UNII-9HN55RQ07B | Z625801040 | 5-amino-4-picoline | FT-0650363 |

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488187973
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187973
• Canonical Smiles: CC1=C(C=NC=C1)N
• IUPAC Name: 4-methylpyridin-3-amine
• InChIKey: IBKMZYWDWWIWEL-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2/c1-5-2-3-8-4-6(5)7/h2-4H,7H2,1H3
• Isomeric SMILES: CC1=C(C=NC=C1)N
• WGK Germany: 3
• Molecular Weight: 108.14
• Beilstein: 22(5)9,344
• Reaxy-Rn: 107792
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107792&ln=

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: Methylpyridines Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Aminopyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - 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

• Solubility: Soluble in Chloroform, Ethyl Acetate and Methanol.
• Sensitivity: Hygroscopic
• Boil Point(°C): 254 °C
• Melt Point(°C): 102-106°C
• Molecular Weight: 108.140 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 108.069 Da
• Monoisotopic Mass: 108.069 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 72.900
• 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. Weixiang Liu, Yukun Qin, Song Liu, Ronge Xing, Huahua Yu, Xiaolin Chen, Kecheng Li, Pengcheng Li.  (2018)  Synthesis, characterization and antifungal efficacy of chitosan derivatives with triple quaternary ammonium groups.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:29625221] [10.1016/j.ijbiomac.2018.03.179]