4-Pyridin-4-ylmethyl-phenylamine - ≥95% , CAS No.27692-74-6

CAS: 27692-74-6 Cat. No.: P335183 Molecular Weight: 184.24 EC Number: 887-667-9 PubChem CID: 307158

GRADE & PURITY ≥95%

Synonyms

4-(4-pyridinylmethyl)phenylamine | 4-(4-Pyridinylmethyl)-phenylamine | 4-(4-pyridylmethyl)aniline | F0902-4430 | 4-(4-pyridylmethyl)aniline, AldrichCPR | BP-10866 | MFCD00053060 | 4-(4-aminobenzyl)pyridine | SR-01000430169 | BB 0246021 | C09224 | NSC20494

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

4-(4-pyridinylmethyl)phenylamine | 4-(4-Pyridinylmethyl)-phenylamine | 4-(4-pyridylmethyl)aniline | F0902-4430 | 4-(4-pyridylmethyl)aniline, AldrichCPR | BP-10866 | MFCD00053060 | 4-(4-aminobenzyl)pyridine | SR-01000430169 | BB 0246021 | C09224 | NSC20494

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504758416
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758416
• Canonical Smiles: C1=CC(=CC=C1CC2=CC=NC=C2)N
• IUPAC Name: 4-(pyridin-4-ylmethyl)aniline
• InChIKey: WZXYYQHVDJMIFF-UHFFFAOYSA-N
• INCHI: 1S/C12H12N2/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-8H,9,13H2
• Isomeric SMILES: C1=CC(=CC=C1CC2=CC=NC=C2)N
• PubChem CID: 307158
• Molecular Weight: 184.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aniline or substituted anilines - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - 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 aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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: 184.240 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 184.1 Da
• Monoisotopic Mass: 184.1 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 156.000
• 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