HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Amino-2-methylpyridine
6-Methylpyridin-3-amine · 5-AMINO-2-PICOLINE · 3-AMINO-6-METHYLPYRIDINE · 6-METHYL-PYRIDIN-3-YLAMINE · AURORA KA-7923 · 5-Aminopicoline · 3-AMINO-6-PICOLINE · 5-Amino-2-methylpyri
Identifiers & Physical Properties
| CAS No. | 3430-14-6 |
|---|---|
| Molecular formula | C6H8N2 |
| Average molar mass | 108.14 g/mol |
| Monoisotopic mass | 108.06874826 g/mol |
| SMILES | Cc1ccc(N)cn1 |
| InChIKey | UENBBJXGCWILBM-UHFFFAOYSA-N |
| PubChem CID | 243313 |
| EC No. | 625-232-5 |
| DTXSID | DTXSID00287854 |
Chemical & Physical Properties
| XLogP | 0.5 |
|---|---|
| Topological polar surface area | 38.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 72.9 |
| Melting point | 95-99°C |
| Boiling point | 238.4±20.0 °C(Predicted) |
| Density | 1.068±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (acidity coefficient) | 6.89±0.10(Predicted) |
| Physical state | Powder |
| Color | Off-white to orange to brown |
| InChI | InChI=1S/C6H8N2/c1-5-2-3-6(7)4-8-5/h2-4H,7H2,1H3 |
| InChIKey | UENBBJXGCWILBM-UHFFFAOYSA-N |
| SMILES | C1=NC(C)=CC=C1N |
| LogP (partition coefficient) | 0.704 |
| CAS DataBase Reference | 3430-14-6(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H302-H315-H318-H335 |
| GHS precautionary statements | P280-P301+P312+P330-P302+P352-P305+P351+P338+P310 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
| Hazard symbols | Xn,Xi,C |
| Risk statements (R) | 22-37/38-41-36/37/38-34-24/25 |
| Safety statements (S) | 26-36/39-45-36/37/39-36-27-36/37 |
| UN transport number | UN2811 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Harmful |
| Hazard class | 6.1Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Packing group | III |
| Customs code | 29333999 |
| Storage class | 11 - Combustible Solids |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | DangerH301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Status: Active Update: 07-06-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29319 |
| Hazard Classes and Categories | Acute Tox. 3 (12.5%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
| Water hazard class (WGK) | 3 |
| UN transport number | UN2811 |
| Customs code | 29333999 |
| Risk statements (R) | 22-37/38-41-36/37/38-34-24/25 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard symbols | Xn,Xi,C |
| hazard_note | Harmful |
| Safety statements (S) | 26-36/39-45-36/37/39-36-27-36/37 |
| Hazard class | 6.1Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Packing group | III |
| Target organs | Respiratory system |
| GHS hazard statements | H302-H315-H318-H335 |
Applications & Uses
Uses
6-Methylpyridine-3-amine, is a heterocyclic building block used in the manufacture of various pharmaceutical compounds. It can be used for the synthesis of 2-aminoquinazoline derivatives, as a novel class of metabotropic glutamate receptor 5 negative allosteric modulators (mGluR5), leading toward a drug candidate for the treatment of l-DOPA induced dyskinesia.
General Description
5-Amino-2-methylpyridine is used as a pharmaceutical intermediate for Omecamtiv Mecarbil, a selective cardiac myosin activator used to improve cardiac function.