HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Methylpiperidine-4-methylamine
(1-METHYLPIPERIDIN-4-YL)METHANAMINE · 1-methylpiperidine-4-methylamine · AKOS B025002 · BUTTPARK 145\06-16 · TIMTEC-BB SBB009719 · ART-CHEM-BB B025002 · CHEMBRDG-BB 4103003 · 1-Methyl-4-(aMinoMethyl)p...
Identifiers & Physical Properties
| CAS No. | 7149-42-0 |
|---|---|
| Molecular formula | C7H16N2 |
| Average molar mass | 128.22 g/mol |
| Monoisotopic mass | 128.13134852 g/mol |
| SMILES | CN1CCC(CN)CC1 |
| InChIKey | AGTPSAZJSOQXHJ-UHFFFAOYSA-N |
| PubChem CID | 81574 |
| ChEMBL | CHEMBL4536092 |
| EC No. | 230-477-2 |
| DTXSID | DTXSID50221708 |
Chemical & Physical Properties
| XLogP | 0.1 |
|---|---|
| Topological polar surface area | 29.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 75 |
| Melting point | 0°C |
| Boiling point | 80 °C |
| Density | 0.901±0.06 g/cm3(Predicted) |
| Flash point | 0°C |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Physical state | liquid |
| pKa (acidity coefficient) | 10.13±0.29(Predicted) |
| Color | Pale yellow |
| InChI | InChI=1S/C7H16N2/c1-9-4-2-7(6-8)3-5-9/h7H,2-6,8H2,1H3 |
| InChIKey | AGTPSAZJSOQXHJ-UHFFFAOYSA-N |
| SMILES | N1(C)CCC(CN)CC1 |
| CAS DataBase Reference | 7149-42-0(CAS DataBase Reference) |
| UNSPSC Code | 12352116 |
| GHS pictogram | GHS02,GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H226-H302-H314 |
| GHS precautionary statements | P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P370+P378-P403+P235 |
| Hazard symbols | C,Xi |
| Risk statements (R) | 34-20/22-22-10 |
| Safety statements (S) | 26-36/37/39-45-23 |
| UN transport number | 2735 |
| Water hazard class (WGK) | 1 |
| Hazard Note | Corrosive |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1C |
| Customs code | 29333990 |
| Storage class | 3 - Flammable liquids |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| GHS classification | DangerH226 (88.9%): Flammable liquid and vapor [Warning Flammable liquids]H302 (93.3%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 8 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 | Flam. Liq. 3 (88.9%)Acute Tox. 4 (93.3%)Skin Corr. 1C (100%) |
| Water hazard class (WGK) | 1 |
| UN transport number | 2735 |
| Customs code | 29333990 |
| Risk statements (R) | 34-20/22-22-10 |
| Signal word | Danger |
| GHS pictogram | GHS02,GHS05,GHS07 |
| Hazard symbols | C,Xi |
| hazard_note | Corrosive |
| Safety statements (S) | 26-36/37/39-45-23 |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1C |
| Storage class | 3 - Flammable liquids |
| GHS hazard statements | H226-H302-H314 |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| GHS precautionary statements | P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P370+P378-P403+P235 |
Applications & Uses
Uses
(1-methyl-4-piperidinyl)methanamine is a reagent used in the synthesis of novel indole-carboxamides which are inhibitors of neurotropic alphavirus.