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Benzeneethanamine， 4-amino-N-[2-(4-aminophenoxy)ethyl]-N-methyl- - ≥95%, high purity , CAS No.115256-13-8

COA

Grade & Purity:

≥95%

Cas Number: 115256-13-8
Molecular Weight: 285.39
MDL number: MFCD09834843
PubChem CID: 14645098

In stock

Item Number

B771019

Grouped product items
SKU	Size	Availability	Price
B771019-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$416.90
B771019-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,386.90
B771019-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,426.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenethylamines
Alternative Parents	Aminophenyl ethers Phenoxy compounds Aniline and substituted anilines Aralkylamines Alkyl aryl ethers Trialkylamines Primary amines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminophenyl ether - Phenethylamine - Phenoxy compound - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Aralkylamine - Tertiary aliphatic amine - Tertiary amine - Ether - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
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-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]aniline
INCHI	InChI=1S/C17H23N3O/c1-20(11-10-14-2-4-15(18)5-3-14)12-13-21-17-8-6-16(19)7-9-17/h2-9H,10-13,18-19H2,1H3
InChIKey	QZYRUZJJDBUKII-UHFFFAOYSA-N
Smiles	CN(CCC1=CC=C(C=C1)N)CCOC2=CC=C(C=C2)N
Isomeric SMILES	CN(CCC1=CC=C(C=C1)N)CCOC2=CC=C(C=C2)N
PubChem CID	14645098
Molecular Weight	285.39

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	285.400 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	285.184 Da
Monoisotopic Mass	285.184 Da
Topological Polar Surface Area	64.500 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	271.000
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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