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1-Allylisatin - >98.0%(GC), high purity , CAS No.830-74-0

COA

Grade & Purity:

≥98%(GC)

Cas Number: 830-74-0
Molecular Weight: 187.2
MDL number: MFCD00224218
PubChem CID: 1713563
PubChem SID: 504760617

In stock

Item Number

A151085

Grouped product items
SKU	Size	Availability	Price
A151085-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$28.90
A151085-200mg	200mg	3	$44.90
A151085-1g	1g	3	$170.90
A151085-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$765.90

View related series

azole (525) Five-Membered Heterocyclic Compounds (2064)

Basic Description

Synonyms	1-prop-2-enylindole-2,3-dione \| 1-Allyl-2,3-indolinedione \| 11L-570S \| STK123746 \| EN300-04207 \| SR-01000390544 \| Z56791041 \| CCG-103273 \| BDBM108067 \| AKOS000245101 \| T71370 \| ZWNYDPBLEDGGQD-UHFFFAOYSA-N \| MFCD00224218 \| J-803063 \| n-allylisatin \| J-5041
Specifications & Purity	≥98%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Indoles and derivatives
Alternative Parents	Aryl ketones Benzenoids Vinylogous amides Tertiary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indole or derivatives - Aryl ketone - Benzenoid - Tertiary carboxylic acid amide - Vinylogous amide - Lactam - Ketone - Carboxamide group - Azacycle - Carboxylic acid derivative - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
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	504760617
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504760617
IUPAC Name	1-prop-2-enylindole-2,3-dione
INCHI	InChI=1S/C11H9NO2/c1-2-7-12-9-6-4-3-5-8(9)10(13)11(12)14/h2-6H,1,7H2
InChIKey	ZWNYDPBLEDGGQD-UHFFFAOYSA-N
Smiles	C=CCN1C2=CC=CC=C2C(=O)C1=O
Isomeric SMILES	C=CCN1C2=CC=CC=C2C(=O)C1=O
Molecular Weight	187.2
Reaxy-Rn	1528099
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1528099&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
J2408109	Certificate of Analysis	Jul 10, 2024	A151085
F2220071	Certificate of Analysis	May 30, 2022	A151085
F2220057	Certificate of Analysis	May 30, 2022	A151085
E2316970	Certificate of Analysis	May 30, 2022	A151085
F2220074	Certificate of Analysis	May 30, 2022	A151085
E2316969	Certificate of Analysis	May 30, 2022	A151085

Chemical and Physical Properties

Boil Point(°C)	145°C/1mmHg(lit.)
Melt Point(°C)	86 °C
Molecular Weight	187.190 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	187.063 Da
Monoisotopic Mass	187.063 Da
Topological Polar Surface Area	37.400 Å²
Heavy Atom Count	14
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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