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2-Isopropenylaniline - 98%, high purity , CAS No.52562-19-3

COA

Grade & Purity:

≥98%

Cas Number: 52562-19-3
Molecular Weight: 133.19
PubChem CID: 96494
PubChem SID: 504756320

In stock

Item Number

I170789

Grouped product items
SKU	Size	Availability	Price
I170789-250mg	250mg	3	$9.90
I170789-1g	1g	3	$27.90
I170789-5g	5g	3	$106.90
I170789-10g	10g	1	$191.90
I170789-25g	25g	2	$416.90

Basic Description

Synonyms	HEDYZFYQYPWWCC-UHFFFAOYSA-N \| EN300-94868 \| o-Isopropenylaniline \| 2-(Prop-1-en-2-yl)aniline \| 3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl-(4-methoxycyclohexyl)methanone \| 2-Isopropenylaniline, >=98% \| Benzenamine, 2-(1-methylethenyl)- \| DTXSID2068767 \| MET
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpropenes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropenes
Alternative Parents	Styrenes Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropene - Aniline or substituted anilines - Styrene - 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 phenylpropenes. These are compounds containing a phenylpropene moiety, which consists of a propene substituent bound to a phenyl group.
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	504756320
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756320
IUPAC Name	2-prop-1-en-2-ylaniline
INCHI	InChI=1S/C9H11N/c1-7(2)8-5-3-4-6-9(8)10/h3-6H,1,10H2,2H3
InChIKey	HEDYZFYQYPWWCC-UHFFFAOYSA-N
Smiles	CC(=C)C1=CC=CC=C1N
Isomeric SMILES	CC(=C)C1=CC=CC=C1N
Molecular Weight	133.19
Reaxy-Rn	3081217
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3081217&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
K2222787	Certificate of Analysis	Nov 11, 2022	I170789
K2222786	Certificate of Analysis	Nov 11, 2022	I170789
K2222788	Certificate of Analysis	Nov 11, 2022	I170789
K2222758	Certificate of Analysis	Nov 11, 2022	I170789
K2222784	Certificate of Analysis	Nov 11, 2022	I170789

Chemical and Physical Properties

Refractive Index	n20/D 1.57 (lit.)
Boil Point(°C)	95 °C/13 mmHg (lit.)
Molecular Weight	133.190 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	133.089 Da
Monoisotopic Mass	133.089 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	129.000
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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