CAS 771-50-6|1H-Indole-3-carboxylic acid
| 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 |
Names
| Name | indole-3-carboxylic acid |
|---|---|
| Synonym | More Synonyms |
1H-Indole-3-carboxylic acid BiologicalActivity
| 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 |
| 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 |
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. |
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 |
