HuagongsheHuagongshe Chemistry Print Report · For research reference only
Tricyclo(3.3.1.13,7)dec-1-ylmethylamine
1-ADMA · Mrz-2/16 · AKOS B014406 · AKOS BC-0196 · adamantylmethylamine · 1-ADAMANTYLMETHYLAMINE · 1-Adamantylmethanamine · 1-AMINOMETHYLADAMANTANE
Identifiers & Physical Properties
| CAS No. | 17768-41-1 |
|---|---|
| Molecular formula | C11H19N |
| Average molar mass | 165.27 g/mol |
| Monoisotopic mass | 165.15174961 g/mol |
| SMILES | NCC12CC3CC(CC(C3)C1)C2 |
| InChIKey | XSOHXMFFSKTSIT-UHFFFAOYSA-N |
| PubChem CID | 86625 |
| ChEMBL | CHEMBL336585 |
| EC No. | 241-752-1 |
| DTXSID | DTXSID90170367 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 26 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 156 |
| Boiling point | 83-85 °C/0.3 mmHg (lit.) |
| Density | 0.933 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.5137(lit.) |
| Flash point | 198 °F |
| Storage conditions | 2-8°C(protect from light) |
| Physical state | Liquid |
| pKa (acidity coefficient) | 10.71±0.29(Predicted) |
| Color | Colorless to pale yellow |
| Sensitivity | Air Sensitive |
| InChI | 1S/C11H19N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7,12H2/t8-,9+,10-,11- |
| InChIKey | XSOHXMFFSKTSIT-BIBSGERRSA-N |
| SMILES | NCC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |
| CAS DataBase Reference | 17768-41-1(CAS DataBase Reference) |
| NIST Chemistry Reference | 1-Adamantanemethylamine(17768-41-1) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314 |
| GHS precautionary statements | P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405 |
| Hazard symbols | Xi,C |
| Risk statements (R) | 34 |
| Safety statements (S) | 24/25-45-36/37/39-27-26 |
| UN transport number | UN 2735 |
| Water hazard class (WGK) | 3 |
| Hazard class | 8Eye Dam. 1Skin Corr. 1B |
| Customs code | 29213000 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Limited quantities | 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
Safety & Regulations
| GHS classification | DangerH314 (97.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (97.6%) |
| Water hazard class (WGK) | 3 |
| UN transport number | UN 2735 |
| Customs code | 29213000 |
| Risk statements (R) | 34 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | Xi,C |
| Safety statements (S) | 24/25-45-36/37/39-27-26 |
| Hazard class | IRRITANTEye Dam. 1Skin Corr. 1B |
| Storage class | 8A - Combustible corrosive hazardous materials |
| GHS hazard statements | H314 |
| Limited quantities | 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
| GHS precautionary statements | P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405 |
Applications & Uses
Uses
Adamantan-1-ylmethanamine (1-Aminomethyladamantane) is a Hyt hydrophobic group. Adamantan-1-ylmethanamine can be used in the synthesis of ZX782 (HY-161972)[1].
General Description
1-Adamantanemethylamine is a large amine present on the wall of 6,7-diaminoquinoxaline. The thermodynamic complex formation constant of 1-adamantanemethylamine was studied.