CAS 498-94-2|Isonipecotic acid
| Common Name | Isonipecotic acid | ||
|---|---|---|---|
| CAS Number | 498-94-2 | Molecular Weight | 129.157 |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 265.8±33.0 °C at 760 mmHg |
| Molecular Formula | C6H11NO2 | Melting Point | >300 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 114.5±25.4 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | Isonipecotic acid |
|---|---|
| Synonym | More Synonyms |
Isonipecotic acid BiologicalActivity
| Description | Isonipecotic acid is a GABAA receptor partial agonist[1]. |
|---|---|
| Related Catalog | Signaling Pathways >>Membrane Transporter/Ion Channel >>GABA ReceptorResearch Areas >>Neurological DiseaseSignaling Pathways >>Neuronal Signaling >>GABA Receptor |
| Target | GABAA Receptor[1] |
| In Vitro | Isonipecotic acid inhibits [3H]GABA binding (2°C) with an IC50 of 0.33 μM[2]. |
| References | [1]. Krehan D, et al. Phosphinic, phosphonic and seleninic acid bioisosteres of isonipecotic acid as novel and selective GABA(C) receptor antagonists. Neurochem Int. 2003 Jun;42(7):561-5. [2]. Falch E, et al. GABA-mimetic activity and effects on diazepam binding of aminosulphonic acids structurally related to piperidine-4-sulphonic acid. J Neurochem. 1985 Jan;44(1):68-75. |
Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 265.8±33.0 °C at 760 mmHg |
| Melting Point | >300 °C(lit.) |
| Molecular Formula | C6H11NO2 |
| Molecular Weight | 129.157 |
| Flash Point | 114.5±25.4 °C |
| Exact Mass | 129.078979 |
| PSA | 49.33000 |
| LogP | -0.08 |
| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
| Index of Refraction | 1.479 |
| InChIKey | SRJOCJYGOFTFLH-UHFFFAOYSA-N |
| SMILES | O=C(O)C1CCNCC1 |
| Storage condition | Store at 0-5°C |
| Water Solubility | soluble |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 23,1343,1968
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36-S37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | NS5150000 |
| HS Code | 2942000000 |
Customs
| HS Code | 2933399090 |
|---|---|
| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| Isonipecotic acid |
| 4-Hexahydroisonicotinic acid |
| Piperidine-4-carboxylic acid |
| UNII-M5TZP1RWIE |
| 4-Piperidinecarboxylic acid |
| Hexahydroisonicotinic acid |
| EINECS 207-872-3 |
| MFCD00006004 |
| Isonipecoticacid |
