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4,4'-Diamino-2,2'-dimethylbibenzyl - >95.0%(T), high purity , CAS No.54628-21-6

1 Citations

COA

Grade & Purity:

≥95%(T)

Cas Number: 54628-21-6
Molecular Weight: 240.35
MDL number: MFCD00007812
PubChem CID: 89867

In stock

Item Number

D155071

Grouped product items
SKU	Size	Availability	Price	Qty
D155071-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$120.90
D155071-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$462.90

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Imide (271) Polymer / polymer reagent (675)

Basic Description

Synonyms	AKOS024364969 \| A870402 \| 4,4 inverted exclamation mark -Diamino-2,2 inverted exclamation mark -dimethylbibenzyl \| SCHEMBL865950 \| AS-65415 \| 4,4'-Ethylenedi-3-toluidine \| EINECS 245-268-1 \| 4-[2-(4-amino-2-methylphenyl)ethyl]-3-methylaniline \| Benzenamin
Specifications & Purity	≥95%(T)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Stilbenes

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Stilbenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Stilbenes
Alternative Parents	Aniline and substituted anilines Aminotoluenes Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Stilbene - Aminotoluene - Aniline or substituted anilines - Toluene - Benzenoid - Monocyclic benzene moiety - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
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-(4-amino-2-methylphenyl)ethyl]-3-methylaniline
INCHI	InChI=1S/C16H20N2/c1-11-9-15(17)7-5-13(11)3-4-14-6-8-16(18)10-12(14)2/h5-10H,3-4,17-18H2,1-2H3
InChIKey	ISESBQNCWCFFFR-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1)N)CCC2=C(C=C(C=C2)N)C
Isomeric SMILES	CC1=C(C=CC(=C1)N)CCC2=C(C=C(C=C2)N)C
Molecular Weight	240.35
Reaxy-Rn	3315598
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3315598&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	170 °C
Molecular Weight	240.340 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	240.163 Da
Monoisotopic Mass	240.163 Da
Topological Polar Surface Area	52.000 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	227.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Jing Wang, Haijun Bi, Mengru Li, Hui Wang, Manman Xue, Jieyao Yu, Chi-Tang Ho, Liang Zhang, Qinglin Zhuo, Jiadao Jiang, Xiaochun Wan, Xiaoting Zhai. (2023) Contribution of theanine to the temperature-induced changes in aroma profile of Wuyi rock tea. FOOD RESEARCH INTERNATIONAL, 169 (112860).

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