1,2,3,4-Tetrahydro-β-carboline-1-carboxylic Acid - ≥97% , CAS No.6649-91-8

CAS: 6649-91-8 Cat. No.: T331369 Molecular Weight: 216.24 EC Number: 809-744-8 PubChem CID: 145879

COA

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1,2,3,4-Tetrahydro-β-carboline-1-carboxylic Acid - ≥97% CAS No(6649-91-8) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥97%

Synonyms

p-Butylaminobenzoyl-2-dimethylaminoethanol hydrochloride | FT-0674975 | STK894014 | NCI60_016439 | NSC629423 | NSC-629423 | NCI60_009530 | 1234_Tetrahydro_Beta_carboline_carboxylic_acid | AMY37218 | GLYCERYL PABA [INCI] | A-carboline-1-carboxylic Acid | X

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Documents & Articles Solution Calculators Reviews

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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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.

Overview

1,2,3,4-Tetrahydro-β-carboline-1-carboxylic Acid is used in studies of neurodegenerative diseases.

Specifications

Synonyms

Specifications & Purity

≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

Pubchem Sid	488188197
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188197
Canonical Smiles	C1CNC(C2=C1C3=CC=CC=C3N2)C(=O)O
IUPAC Name	2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid
InChIKey	XGCIVVYTCDKDLC-UHFFFAOYSA-N
INCHI	1S/C12H12N2O2/c15-12(16)11-10-8(5-6-13-11)7-3-1-2-4-9(7)14-10/h1-4,11,13-14H,5-6H2,(H,15,16)
Isomeric SMILES	C1CNC(C2=C1C3=CC=CC=C3N2)C(=O)O
PubChem CID	145879
Molecular Weight	216.24

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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Alkaloids and derivatives
  - Class Harmala alkaloids

Kingdom	Organic compounds
Superclass	Alkaloids and derivatives
Class	Harmala alkaloids
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Harmala alkaloids
Alternative Parents	Beta carbolines 3-alkylindoles Alpha amino acids Aralkylamines Benzenoids Pyrroles Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Carboxylic acids Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Harman - Beta-carboline - Pyridoindole - Alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - Benzenoid - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Secondary amine - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as harmala alkaloids. These are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole.
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

3D Structure

Associated Targets(Human)

MAPKAPK2 Tchem MAP kinase-activated protein kinase 2 (4814 Activities)

Discover Target: MAPKAPK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
E2628020	Certificate of Analysis	Jun 04, 2026	T331369
E23101027	Certificate of Analysis	Feb 05, 2026	T331369
E23101028	Certificate of Analysis	Feb 05, 2026	T331369
E23101031	Certificate of Analysis	Feb 05, 2026	T331369
E23101032	Certificate of Analysis	Feb 05, 2026	T331369
E23101034	Certificate of Analysis	Feb 05, 2026	T331369
E23101037	Certificate of Analysis	Feb 05, 2026	T331369
E23101038	Certificate of Analysis	Feb 05, 2026	T331369
E23101042	Certificate of Analysis	Feb 05, 2026	T331369

Solubility	Soluble in DMSO
Melt Point(°C)	>206ºC
Molecular Weight	216.240 g/mol
XLogP3	-1.000
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	216.09 Da
Monoisotopic Mass	216.09 Da
Topological Polar Surface Area	65.099 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	295.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1