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4-[methyl(phenyl)amino]benzaldehyde - ≥97%, high purity , CAS No.55489-38-8

COA

Grade & Purity:

≥97%

Cas Number: 55489-38-8
EC Number: 878-434-2
PubChem CID: 11424381

In stock

Item Number

B725959

Grouped product items
SKU	Size	Availability	Price	Qty
B725959-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$355.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Tertiary amines
        Level6 Tertiary alkylarylamines
        Level7 Alkyldiarylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Tertiary amines - Tertiary alkylarylamines
Direct Parent	Alkyldiarylamines
Alternative Parents	Benzoyl derivatives Benzaldehydes Aniline and substituted anilines Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyldiarylamine - Aniline or substituted anilines - Benzoyl - Benzaldehyde - Aryl-aldehyde - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino group.
External Descriptors	Not available
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

Names and Identifiers

IUPAC Name	4-(N-methylanilino)benzaldehyde
INCHI	InChI=1S/C14H13NO/c1-15(13-5-3-2-4-6-13)14-9-7-12(11-16)8-10-14/h2-11H,1H3
InChIKey	GDKRKWOVNXZJRF-UHFFFAOYSA-N
Smiles	CN(C1=CC=CC=C1)C2=CC=C(C=C2)C=O
Isomeric SMILES	CN(C1=CC=CC=C1)C2=CC=C(C=C2)C=O
Alternate CAS	55489-38-8
PubChem CID	11424381

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	211.260 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	211.1 Da
Monoisotopic Mass	211.1 Da
Topological Polar Surface Area	20.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	215.000
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

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