1-(HYDROXYMETHYL)ISATIN , CAS No.50899-59-7

CAS: 50899-59-7 Cat. No.: H170666 Peso molecular: 177.161 Número EC: 622-186-8
Disponible para pedir
Synonyms
50899-59-7|1-Hydroxymethyl-1H-indole-2,3-dione|1-(Hydroxymethyl)indole-2,3-dione|1-(hydroxymethyl)indoline-2,3-dione|N-Hydroxymethylisatin|1-(Hydroxymethyl)-1H-indole-2,3-dione|1-(hydroxymethyl)-2,3-dihydro-1H-indole-2,3-dione|INDOLE-2,3-DIONE, 1-(HYDROXY
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
100mg
H170666-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

344,90US$

410,90US$
Guardar 66,00 US$ (16.06%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
50899-59-7 | 1-Hydroxymethyl-1H-indole-2, 3-dione | 1-(Hydroxymethyl)indole-2, 3-dione | 1-(hydroxymethyl)indoline-2, 3-dione | N-Hydroxymethylisatin | 1-(Hydroxymethyl)-1H-indole-2, 3-dione | 1-(hydroxymethyl)-2, 3-dihydro-1H-indole-2, 3-dione | INDOLE-2, 3-DIONE, 1-(HYDROXY
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Nombres e identificadores
Sonrisas canónicasC1=CC=C2C(=C1)C(=O)C(=O)N2CO
IUPAC Name1-(hydroxymethyl)indole-2,3-dione
InChIKeyMHGOPQDELUOKPE-UHFFFAOYSA-N
INCHI1S/C9H7NO3/c11-5-10-7-4-2-1-3-6(7)8(12)9(10)13/h1-4,11H,5H2
Isómeros SMILES C1=CC=C2C(=C1)C(=O)C(=O)N2CO
Peso molecular 177.161
Reaxy-Rn 153590
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=153590&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseIndoles and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentIndoles and derivatives
Alternative Parents Aryl ketones  Benzenoids  Vinylogous amides  Tertiary carboxylic acid amides  Lactams  Azacyclic compounds  Alkanolamines  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indole or derivatives - Aryl ketone - Benzenoid - Tertiary carboxylic acid amide - Vinylogous amide - Lactam - Ketone - Carboxamide group - Azacycle - Alkanolamine - Carboxylic acid derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Tclin Butyrylcholinesterase (7174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular177.160 g/mol
XLogP30.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass177.043 Da
Monoisotopic Mass177.043 Da
Topological Polar Surface Area57.600 Ų
Heavy Atom Count13
Formal Charge0
Complexity251.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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