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3-(1-Aminoethyl)aniline - 95%, high purity , CAS No.129725-48-0

COA

Grade & Purity:

≥95%

Cas Number: 129725-48-0
Molecular Weight: 136.19
PubChem CID: 2771742

In stock

Item Number

A166873

Grouped product items
SKU	Size	Availability	Price	Qty
A166873-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$90.90

Basic Description

Synonyms	3-(1-AMINO-ETHYL)-PHENYLAMINE \| 3-(1-Aminoethyl)aniline, 95% \| SCHEMBL2023304 \| 3-(1-Aminoethyl)benzenamine \| FT-0746042 \| EN300-701382 \| FT-0652875 \| AKOS005257337 \| DTXSID40378053 \| MFCD06245432 \| 3-(1-aminoethyl)aniline \| AB29091 \| Benzenemethanamine,
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 Aniline and substituted anilines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Aniline and substituted anilines
Intermediate Tree Nodes	Not available
Direct Parent	Aniline and substituted anilines
Alternative Parents	Aralkylamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aniline or substituted anilines - Aralkylamine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
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	3-(1-aminoethyl)aniline
INCHI	InChI=1S/C8H12N2/c1-6(9)7-3-2-4-8(10)5-7/h2-6H,9-10H2,1H3
InChIKey	MBWYRMCXWROJMP-UHFFFAOYSA-N
Smiles	CC(C1=CC(=CC=C1)N)N
Isomeric SMILES	CC(C1=CC(=CC=C1)N)N
WGK Germany	3
Molecular Weight	136.19
Reaxy-Rn	14840045
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14840045&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	>230 °F
Flash Point(°C)	>110 °C
Melt Point(°C)	51-56 °C
Molecular Weight	136.190 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	136.1 Da
Monoisotopic Mass	136.1 Da
Topological Polar Surface Area	52.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	103.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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