4-(Aminomethyl)pyridine - ≥98% , CAS No.3731-53-1

CAS: 3731-53-1 Cat. No.: A107215 Molecular Weight: 108.14 Beilstein Registry Number: 108057 EC Number: 223-092-6

GRADE & PURITY ≥98%

Synonyms

2'.4'-Dimethoxypropiophenone | DTXSID0063153 | J-502089 | 4-Pyridinemethylamine | 4-Pyridylmethylamine | 4-pyridylmethyl-amine | STR00571 | BCP22963 | FT-0619419 | 4-(Aminomethyl)pyridine, 98% | NSC59707 | NSC-59707 | 4-Picolinamine | F2190-0500 | (4-pyri

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

2'.4'-Dimethoxypropiophenone | DTXSID0063153 | J-502089 | 4-Pyridinemethylamine | 4-Pyridylmethylamine | 4-pyridylmethyl-amine | STR00571 | BCP22963 | FT-0619419 | 4-(Aminomethyl)pyridine, 98% | NSC59707 | NSC-59707 | 4-Picolinamine | F2190-0500 | (4-pyri

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488185394
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185394
• Canonical Smiles: C1=CN=CC=C1CN
• IUPAC Name: pyridin-4-ylmethanamine
• InChIKey: TXQWFIVRZNOPCK-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1-4H,5,7H2
• Isomeric SMILES: C1=CN=CC=C1CN
• WGK Germany: 3
• UN Number: 2735
• Molecular Weight: 108.14
• Beilstein: 108057
• Reaxy-Rn: 108057
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108057&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Ether,Ethanol
• Sensitivity: air sensitive ;light sensitive
• Refractive Index: 1.5515
• Flash Point(°F): 219.2 °F
• Flash Point(°C): 108°C
• Boil Point(°C): 230°C
• Melt Point(°C): -8°C
• Molecular Weight: 108.140 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• 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: 57.500
• 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

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