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4-(2-Phenylpropan-2-yl)aniline - ≥95%, high purity , CAS No.6962-10-3

COA

Grade & Purity:

≥95%

Cas Number: 1416354-38-5
Molecular Weight: 247.76
PubChem CID: 234874

In stock

Item Number

A735431

Grouped product items
SKU	Size	Availability	Price
A735431-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$22.90
A735431-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$269.90
A735431-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$725.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Diphenylmethanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylmethanes
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylmethanes
Alternative Parents	Phenylpropanes Aniline and substituted anilines Primary amines Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylmethane - Phenylpropane - Aniline or substituted anilines - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
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-(2-phenylpropan-2-yl)aniline;hydrochloride
INCHI	InChI=1S/C15H17N.ClH/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13;/h3-11H,16H2,1-2H3;1H
InChIKey	YBRQYYRQXOERRQ-UHFFFAOYSA-N
Smiles	CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)N.Cl
Isomeric SMILES	CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)N.Cl
Alternate CAS	6962-10-3
Molecular Weight	247.76

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	211.300 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	211.136 Da
Monoisotopic Mass	211.136 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	207.000
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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