HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-Methoxy-3-pyridinylamine
6-METHOXYPYRIDIN-3-AMINE · 5-Amino-2-methoxy · 3-Amino-6-methoxypy · OTAVA-BB BB7020410079 · 6-methoxy-3-pyridinamin · 6-methoxypyridin-3-amin · 6-Methoxy-3-pyridylamine · 6-Methoxy-3-pyridinamine
Identifiers & Physical Properties
| CAS No. | 6628-77-9 |
|---|---|
| Molecular formula | C6H8N2O |
| Average molar mass | 124.14 g/mol |
| Monoisotopic mass | 124.06366288 g/mol |
| SMILES | COc1ccc(N)cn1 |
| InChIKey | UUVDJIWRSIJEBS-UHFFFAOYSA-N |
| PubChem CID | 81121 |
| ChEBI | CHEBI:194950 |
| EC No. | 229-612-8 |
| DTXSID | DTXSID20216484 |
Chemical & Physical Properties
| XLogP | 1 |
|---|---|
| Topological polar surface area | 48.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 87 |
| Kovats Retention Index | 12262165 |
| Melting point | 29-31 °C (lit.) |
| Boiling point | 85-90 °C/1 mmHg (lit.) |
| Density | 1.575 |
| Refractive index | n20/D 1.575(lit.) |
| Flash point | >230 °F |
| Storage conditions | 2-8°C |
| Solubility | Chloroform, Methanol (Slightly)Slightly soluble |
| Physical state | Liquid |
| pKa (acidity coefficient) | 4.33±0.10(Predicted) |
| Color | Yellow-brown or red to very dark red |
| InChI | 1S/C6H8N2O/c1-9-6-3-2-5(7)4-8-6/h2-4H,7H2,1H3 |
| InChIKey | UUVDJIWRSIJEBS-UHFFFAOYSA-N |
| SMILES | COc1ccc(N)cn1 |
| CAS DataBase Reference | 6628-77-9(CAS DataBase Reference) |
| FDA UNII | ATT39K5F0C |
| NIST Chemistry Reference | 5-Amino-2-methoxypyridine(6628-77-9) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xn,Xi |
| Risk statements (R) | 22-36/37/38 |
| Safety statements (S) | 26-37/39-36 |
| Water hazard class (WGK) | 3 |
| RTECS number | US1836000 |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Customs code | 29339900 |
| Storage class | 10 - Combustible liquids |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.9%) |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| RTECS number | US1836000 |
| Customs code | 29339900 |
| Risk statements (R) | 22-36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn,Xi |
| Safety statements (S) | 26-37/39-36 |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 10 - Combustible liquids |
| Target organs | Respiratory system |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
5-Amino-2-methoxypyridine is used as a reagent in the synthesis of a novel series of thienopyrimidines as highly potent and selective PI3K inhibitors. 5-Amino-2-methoxypyridine is also used to synthesize EMPA (E521550); a novel high-affinity selective antagonist for the OX2 receptor.