1H-Indole-3-carboxylic acid

Modify Date: 2025-08-21 20:21:45

1H-Indole-3-carboxylic acid Structure
1H-Indole-3-carboxylic acid structure
 Common Name 1H-Indole-3-carboxylic acid
CAS Number 771-50-6 Molecular Weight 161.157
Density 1.4±0.1 g/cm3 Boiling Point 419.6±18.0 °C at 760 mmHg
Molecular Formula C9H7NO2 Melting Point 232-234 °C (dec.)(lit.)
MSDS USA Flash Point 207.6±21.2 °C

 Use of 1H-Indole-3-carboxylic acid


Indole-3-carboxylic acid is a normal urinary indolic tryptophan metabolite and has been found elevated in patients with liver diseases[1][2].

 Names

Name indole-3-carboxylic acid
Synonym More Synonyms

 1H-Indole-3-carboxylic acid Biological Activity

Description Indole-3-carboxylic acid is a normal urinary indolic tryptophan metabolite and has been found elevated in patients with liver diseases[1][2].
Related Catalog
Target

Human Endogenous Metabolite

References

[1]. Byrd DJ, et al. The analysis of indolic tryptophan metabolites in human urine. Thin-layer chromatography and in situ quantitation. J Chromatogr. 1974 Jul 17;94(0):85-106.

[2]. HARTMANN F, et al. [Indolepatterns in the urine of liver patients]. Klin Wochenschr. 1962 Jul 15;40:721-9.

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 419.6±18.0 °C at 760 mmHg
Melting Point 232-234 °C (dec.)(lit.)
Molecular Formula C9H7NO2
Molecular Weight 161.157
Flash Point 207.6±21.2 °C
Exact Mass 161.047684
PSA 53.09000
LogP 1.99
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.726
InChIKey KMAKOBLIOCQGJP-UHFFFAOYSA-N
SMILES O=C(O)c1c[nH]c2ccccc12
Storage condition 2-8°C

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xn:Harmful
Risk Phrases R21/22;R36/37/38
Safety Phrases S22-S24/25-S36/37/39-S26
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS NK7882892
HS Code 2942000000

 Synthetic Route

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Articles23

More Articles
QSAR study on permeability of hydrophobic compounds with artificial membranes.

Bioorg. Med. Chem. 15 , 3756-67, (2007)

We previously reported a classical quantitative structure-activity relationship (QSAR) equation for permeability coefficients (P(app-pampa)) by parallel artificial membrane permeation assay (PAMPA) of...

Isolation and characterization of products from the nitrosation of the alkaloid gramine.

Food Chem. Toxicol. 23(9) , 841-7, (1985)

The nitrosation of gramine, a tertiary amine alkaloid present in barley malt, was carried out by reaction with sodium nitrite in buffered acetic acid (pH 3.4) for 1 hr at room temperature. Two major n...

Total synthesis of kottamide E.

Chem. Commun. (Camb.) 49(23) , 2296-8, (2013)

The first synthesis of kottamide E, a marine natural product containing a 5,6-dibromoindole linked via a (Z)-enamide to an unusual 1,2-dithiolane-containing amino acid, is reported.

 1H-Indole-3-carboxylic acidBioassay

View more

Name: Inverse agonist activity at Gal4-fused human Nurr1 LBD expressed in HEK293T cells co-...
Source: ChEMBL
Target: Nuclear receptor subfamily 4 group A member 2
External Id: CHEMBL4840093
Name: USP8 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 8
External Id: USP8 FAST DUB HTS Primary
Name: Antioxidant activity assessed as trolox equivalents of ABTS radical scavenging activi...
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL990240
Name: Partition coefficient, log P of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL905620
Name: Experimentally measured binding affinity data (Kd) for protein-ligand complexes deriv...
Source: Shanghai Institute of Organic Chemistry
Target: N/A
External Id: PDBbind-Kd for protein-ligand complexes
Name: USP17 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 17 like family member 5
External Id: USP17 FAST DUB HTS Primary
Name: Dissociation constant, pKa of the compound by dip probe absorption spectroscopy
Source: ChEMBL
Target: N/A
External Id: CHEMBL5122665
Name: USP7 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 7
External Id: USP7 FAST DUB HTS Primary
Name: Antioxidant activity against beta-carotene and linoleic acid assessed asbleaching of ...
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL990241
Name: Antibacterial activity against Staphylococcus aureus MRSA ATCC 43300 (CO-ADD:GP_020);...
Source: ChEMBL
Target: Staphylococcus aureus
External Id: CHEMBL4296184
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 Synonyms

3-Indolylcarboxylic acid
EINECS 212-231-6
Indole-3-carboxylic acid
Indole-3-carboxylicacid
1H-Indole-3-carboxylic acid
MFCD00005624
Indole-3-carboxylic_acid
3-Indoleformic acid
3-Indolecarboxylic acid
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Chemsrc provides 1H-Indole-3-carboxylic acid(CAS#:771-50-6) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of 1H-Indole-3-carboxylic acid are included as well.>> amp version: 1H-Indole-3-carboxylic acid

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