1H-Indole-3-carboxylic acid

Names

[ CAS No. ]:
771-50-6

[ Name ]:
1H-Indole-3-carboxylic acid

[Synonym ]:
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

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]:

Research Areas >> Metabolic Disease

[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

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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%

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.