N-Ethyl-p-toluidine - ≥98% , CAS No.622-57-1

CAS: 622-57-1 Cat. No.: N158982 Molecular Weight: 135.21 Beilstein Registry Number: 12(3)2027 EC Number: 210-742-9

GRADE & PURITY ≥98%

Synonyms

N-Ethyl-4-methyl-benzenamine | BS-42310 | DTXSID7060754 | FT-0632613 | N-Ethyl-N-(4-methylphenyl)amine # | SCHEMBL247849 | N-Ethyl-N-(4-methylphenyl)amine | MFCD00035793 | EINECS 210-742-9 | Q63391562 | NSC8889 | NSC-8889 | p-Methyl-N-ethylaniline | NSC 8

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyms

N-Ethyl-4-methyl-benzenamine | BS-42310 | DTXSID7060754 | FT-0632613 | N-Ethyl-N-(4-methylphenyl)amine # | SCHEMBL247849 | N-Ethyl-N-(4-methylphenyl)amine | MFCD00035793 | EINECS 210-742-9 | Q63391562 | NSC8889 | NSC-8889 | p-Methyl-N-ethylaniline | NSC 8

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488183450
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183450
• Canonical Smiles: CCNC1=CC=C(C=C1)C
• IUPAC Name: N-ethyl-4-methylaniline
• InChIKey: AASABFUMCBTXRL-UHFFFAOYSA-N
• INCHI: 1S/C9H13N/c1-3-10-9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
• Isomeric SMILES: CCNC1=CC=C(C=C1)C
• UN Number: 2754
• Packing Group: II
• Molecular Weight: 135.21
• Beilstein: 12(3)2027
• Reaxy-Rn: 742172
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742172&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotoluenes
• Alternative Parents: Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino 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

Chemical and Physical Properties

• Solubility: Soluble in Ether,Alcohol
• Sensitivity: Air sensitive
• Refractive Index: 1.54
• Flash Point(°C): 89°C
• Boil Point(°C): 222°C
• Molecular Weight: 135.210 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.105 Da
• Monoisotopic Mass: 135.105 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 82.700
• 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