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4-Amino-3-ethylbenzonitrile - 96%, high purity , CAS No.170230-87-2

COA

Grade & Purity:

≥96%

Cas Number: 170230-87-2
Molecular Weight: 146.19
Beilstein Registry Number: 7526452
MDL number: MFCD00041431
PubChem CID: 2735330
PubChem SID: 488192714

In stock

Item Number

A121620

Grouped product items
SKU	Size	Availability	Price
A121620-1g	1g	3	$54.90
A121620-5g	5g	4	$199.90
A121620-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$897.90

Basic Description

Synonyms	4-Amino-3-ethylbenzonitrile \| 170230-87-2 \| 4-Amino-3-ethyl-benzonitrile \| 3-ethyl-4-aminobenzonitrile \| SCHEMBL398911 \| AMY8917 \| DTXSID30370682 \| 4-azanyl-3-ethyl-benzenecarbonitrile \| MFCD00041431 \| AKOS006230026 \| AC-5204 \| CS-W008227 \| DS-1636 \| 4-Amino-3-ethylbenzonitrile, A
Specifications & Purity	≥96%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzonitriles
Intermediate Tree Nodes	Not available
Direct Parent	Benzonitriles
Alternative Parents	Aniline and substituted anilines Nitriles Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aniline or substituted anilines - Benzonitrile - Nitrile - Carbonitrile - 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 benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
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

Pubchem Sid	488192714
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488192714
IUPAC Name	4-amino-3-ethylbenzonitrile
INCHI	InChI=1S/C9H10N2/c1-2-8-5-7(6-10)3-4-9(8)11/h3-5H,2,11H2,1H3
InChIKey	YOHLABDNVQLZIA-UHFFFAOYSA-N
Smiles	CCC1=C(C=CC(=C1)C#N)N
Isomeric SMILES	CCC1=C(C=CC(=C1)C#N)N
Molecular Weight	146.19
Beilstein	7526452
Reaxy-Rn	7526452
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7526452&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
C1322019	Certificate of Analysis	Nov 05, 2024	A121620
L2314068	Certificate of Analysis	Dec 27, 2023	A121620
C2302212	Certificate of Analysis	Mar 15, 2023	A121620
E2203003	Certificate of Analysis	Feb 15, 2022	A121620
C2302211	Certificate of Analysis	Feb 15, 2022	A121620
E2203021	Certificate of Analysis	Feb 15, 2022	A121620

Chemical and Physical Properties

Melt Point(°C)	60-66°C
Molecular Weight	146.190 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	146.084 Da
Monoisotopic Mass	146.084 Da
Topological Polar Surface Area	49.800 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	168.000
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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