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α,α'-Dianilino-p-xylene - 98%, high purity , CAS No.13170-62-2

COA

Grade & Purity:

≥98%

Cas Number: 13170-62-2
Molecular Weight: 288.39
MDL number: MFCD00143578
PubChem CID: 607368
PubChem SID: 488190690

In stock

Item Number

A151531

Grouped product items
SKU	Size	Availability	Price
A151531-250mg	250mg	3	$38.90
A151531-1g	1g	3	$117.90
A151531-5g	5g	1	$400.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	US9205085, MSX- 135 \| D2143 \| InChI=1/C20H20N2/c1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20/h1-14,21-22H,15-16H2 \| SCHEMBL2065031 \| FT-0710277 \| 1,4-Benzenedimethanamine, N1,N4-diphenyl- \| N-({4-[(phenylamino)methyl]phenyl}methyl)anil
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylmethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylbenzamines
Alternative Parents	Phenylalkylamines Benzylamines Aniline and substituted anilines Secondary alkylarylamines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylbenzamine - Phenylalkylamine - Aniline or substituted anilines - Benzylamine - Aralkylamine - 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 phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488190690
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488190690
IUPAC Name	N-[[4-(anilinomethyl)phenyl]methyl]aniline
INCHI	InChI=1S/C20H20N2/c1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20/h1-14,21-22H,15-16H2
InChIKey	DXWQPWMYKQYRDS-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)NCC2=CC=C(C=C2)CNC3=CC=CC=C3
Isomeric SMILES	C1=CC=C(C=C1)NCC2=CC=C(C=C2)CNC3=CC=CC=C3
Molecular Weight	288.39
Reaxy-Rn	4484528
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4484528&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
E2320006	Certificate of Analysis	Aug 15, 2022	A151531
J2220097	Certificate of Analysis	Aug 15, 2022	A151531
J2220098	Certificate of Analysis	Aug 15, 2022	A151531
E2320012	Certificate of Analysis	Aug 15, 2022	A151531
J2220099	Certificate of Analysis	Aug 15, 2022	A151531

Chemical and Physical Properties

Melt Point(°C)	127 °C
Molecular Weight	288.400 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	288.163 Da
Monoisotopic Mass	288.163 Da
Topological Polar Surface Area	24.100 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	254.000
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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