Isatinate
Also known as Isatinic acid, 2-(2-aminophenyl)-2-oxoacetic acid, 2-(2-Aminophenyl)-2-oxoaceticacid
Key facts
What buyers check first
- CAS number
- 484-38-8
- Formula
- C8H7NO3
- Molar mass
- 165.15 g/mol
- HS code
- 292250
- Category
- Carboxylic acids and anhydrides
What is Isatinate?
Plain description, key identifiers and synonyms
2-aminophenylglyoxylic acid is a 2-oxo monocarboxylic acid that is glyoxylic acid in which the aldehydic hydrogen is replaced by a 2-aminophenyl group. It has a role as a bacterial xenobiotic metabolite. It is a 2-oxo monocarboxylic acid and a substituted aniline. It is functionally related to a glyoxylic acid. It is a conjugate acid of a 2-aminophenylglyoxylate.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2-(2-aminophenyl)-2-oxoacetic acid
- CAS number
- 484-38-8 CAS number cross-checked
- Molecular formula
- C8H7NO3
- UNII
- JZ408385JT
- MDL number
- MFCD19301197
- InChIKey
- MQMWPBBDMIYYMI-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H7NO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4H,9H2,(H,11,12)
- SMILES (canonical and isomeric)
- C1=CC=C(C(=C1)C(=O)C(=O)O)N
Synonyms
- Isatinic acid
- 2-(2-aminophenyl)-2-oxoacetic acid
- 2-(2-Aminophenyl)-2-oxoaceticacid
- (2-aminophenyl)(oxo)acetic acid
- 2-Amino-a-oxo-benzeneacetic acid
- Benzeneacetic acid, 2-amino-alpha-oxo-
- isatic acid
- isatinsaure
- 2-(2-aminophenyl)-2-oxo-acetic Acid
- o-aminophenylglyoxylic acid
- 2-aminophenylglyoxylic acid
- (O-Aminophenyl)glyoxylic acid
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 165.15 g/molcalc.Computed value |
|---|---|
| Exact mass | 165.0426 Dacalc.Computed value |
| LogP (octanol/water) | 0.54calc.Computed value |
| Topological polar surface area | 80.39 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 2calc.Computed value |
| Heavy atoms | 12calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Isatinate suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
Post one free request and suppliers who make or trade Isatinate can send you quotes. Your contact details stay private until you accept a quote.
Isatinate price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Roles
- bacterial metabolite
- bacterial xenobiotic metabolite
- metabolite
- prokaryotic metabolite
- xenobiotic metabolite
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Isatinate is traded under.
Amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function
- China39.2%
- United Kingdom27.1%
- India * partner reported4.8%
- United States20.7%
- Germany7.6%
- Italy6.6%
* Partner reported figures, a lower bound.
The HS code shown for Isatinate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Isatinate, based on the data on this page
What is Isatinate?
What is the CAS number of Isatinate?
What is the molecular formula and weight of Isatinate?
What is Isatinate used for?
Is Isatinate hazardous?
What is the HS code of Isatinate?
Where can I buy Isatinate?
What is the price of Isatinate?
Guides for buyers
Practical guides that help when you source, ship or handle Isatinate
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
Get quotes for Isatinate
Embed this structure on your websiteShow code
Paste this code into your page to show the 2D structure of Isatinate with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.
<iframe src="https://www.compoundlist.com/embed/structure/isatinate-484-38-8" title="Isatinate structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>Explore more in Carboxylic acids and anhydrides or HS code 292250