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4-(4-Benzylpiperazin-1-ylmethyl)phenylamine - 98%, high purity , CAS No.422517-70-2

COA

Grade & Purity:

≥98%

Cas Number: 422517-70-2
Molecular Weight: 281.4
PubChem CID: 18005713

In stock

Item Number

B193357

Grouped product items
SKU	Size	Availability	Price	Qty
B193357-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$166.90
B193357-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$397.90

Discover 4-(4-Benzylpiperazin-1-ylmethyl)phenylamine by Aladdin Scientific in 98% for only $166.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	NQGOTIAYUKPHTA-UHFFFAOYSA-N \| 4-(4-Benzylpiperazin-1-ylmethyl)phenylamine \| SCHEMBL5625337 \| 4-[(4-benzylpiperazin-1-yl)methyl]aniline \| EN300-37446 \| 4-((4-benzylpiperazin-1-yl)methyl)benzenamine \| AKOS000155609 \| FT-0604238 \| MFCD06797791 \| DTXSID105924
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	Phenylmethylamines
Alternative Parents	Benzylamines Aniline and substituted anilines N-alkylpiperazines Aralkylamines Trialkylamines Azacyclic compounds Primary amines Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzylamine - Phenylmethylamine - Aniline or substituted anilines - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
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-[(4-benzylpiperazin-1-yl)methyl]aniline
INCHI	InChI=1S/C18H23N3/c19-18-8-6-17(7-9-18)15-21-12-10-20(11-13-21)14-16-4-2-1-3-5-16/h1-9H,10-15,19H2
InChIKey	NQGOTIAYUKPHTA-UHFFFAOYSA-N
Smiles	C1CN(CCN1CC2=CC=CC=C2)CC3=CC=C(C=C3)N
Isomeric SMILES	C1CN(CCN1CC2=CC=CC=C2)CC3=CC=C(C=C3)N
Molecular Weight	281.4
Reaxy-Rn	14090290
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14090290&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	281.400 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	281.189 Da
Monoisotopic Mass	281.189 Da
Topological Polar Surface Area	32.500 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	285.000
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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