(S)-(-)-Indoline-2-carboxylic acid - ≥99% , CAS No.79815-20-6

CAS: 79815-20-6 Cat. No.: I115487 Molecular Weight: 163.17 EC Number: 410-860-2
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
A839763 | AC-3075 | s-(-)-indolium-2-carboxylic acid | (S)-(+)-2,3-Dihydro-1H-Indole-2-Carboxylic Acid | 2(s)-indolinecarboxylic acid | CDS1_000178 | EN300-59226 | DTXSID101036449 | (2S)-indoline-2-carboxylic acid;(S)-Indoline-2-carboxylic Acid | (S)-(-)-
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
I115487-1g
5
$9.90
5g
I115487-5g
5
$15.90
25g
I115487-25g
2
$60.90
100g
I115487-100g
2
$223.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

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.

📚

Literature proof

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

Specifications

Synonyms
A839763 | AC-3075 | s-(-)-indolium-2-carboxylic acid | (S)-(+)-2, 3-Dihydro-1H-Indole-2-Carboxylic Acid | 2(s)-indolinecarboxylic acid | CDS1_000178 | EN300-59226 | DTXSID101036449 | (2S)-indoline-2-carboxylic acid;(S)-Indoline-2-carboxylic Acid | (S)-(-)-
Specifications & Purity
≥99%
Storage
Room temperature
Shipped In
Normal
Purity
≥99%
Names and Identifiers
Pubchem Sid488192447
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488192447
Canonical SmilesC1C(NC2=CC=CC=C21)C(=O)O
IUPAC Name(2S)-2,3-dihydro-1H-indole-2-carboxylic acid
InChIKeyQNRXNRGSOJZINA-QMMMGPOBSA-N
INCHI1S/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)/t8-/m0/s1
Isomeric SMILES C1[C@H](NC2=CC=CC=C21)C(=O)O
WGK Germany 2
Molecular Weight 163.17
Reaxy-Rn 3606075
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3606075&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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassIndoles and derivatives
SubclassIndolecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentIndolecarboxylic acids
Alternative Parents L-alpha-amino acids  Indolines  Secondary alkylarylamines  Aralkylamines  Benzenoids  Amino acids  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indolecarboxylic acid - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Dihydroindole - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
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TGR Thioredoxin glutathione reductase (28579 Activities)
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Mapt Microtubule-associated protein tau (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
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.

8 results found

Lot NumberCertificate TypeDateItem
G2310254Certificate of AnalysisJul 15, 2023 I115487
G2310269Certificate of AnalysisJul 15, 2023 I115487
G2310242Certificate of AnalysisJul 15, 2023 I115487
G2310244Certificate of AnalysisJul 15, 2023 I115487
G2310253Certificate of AnalysisJul 15, 2023 I115487
G2310273Certificate of AnalysisJul 15, 2023 I115487
G2310278Certificate of AnalysisJul 15, 2023 I115487
H1524029Certificate of AnalysisApr 13, 2023 I115487
Chemical and Physical Properties
SolubilitySlightly soluble in water; Degree of Solubility in water: 6.5 g/l 20 °C
Specific Rotation[α]-116 ° (C=1, 2mol/L HCl)
Melt Point(°C)177°C
Molecular Weight163.170 g/mol
XLogP31.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass163.063 Da
Monoisotopic Mass163.063 Da
Topological Polar Surface Area49.300 Ų
Heavy Atom Count12
Formal Charge0
Complexity193.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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