HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Boc-4-Methylenepiperidine
TERT-BUTYL 4-METHYLENEPIPERIDINE-1-CARBOXYLATE · tert-butyl 4-methylidenepiperidine-1-carboxylate · 4-METHY · 1-N-BOC-4-METHYLENE-PIPERIDINE · 1-tert-Butoxycarbonyl-4-methylenepiperidine · enepiperidine · N-Boc-4-MethyL · 1-Boc-4-Methylenepip
Identifiers & Physical Properties
| CAS No. | 159635-49-1 |
|---|---|
| Molecular formula | C11H19NO2 |
| Average molar mass | 197.27 g/mol |
| Monoisotopic mass | 197.14157885 g/mol |
| SMILES | C=C1CCN(C(=O)OC(C)(C)C)CC1 |
| InChIKey | PDTZMULNKGUIEJ-UHFFFAOYSA-N |
| PubChem CID | 2756808 |
| EC No. | 639-305-4 |
| DTXSID | DTXSID90373553 |
Chemical & Physical Properties
| XLogP | 1.9 |
|---|---|
| Topological polar surface area | 29.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 230 |
| Boiling point | 80°C/1mmHg(lit.) |
| Density | 1g/ml |
| Refractive index | 1.4630 to 1.4670 |
| Storage conditions | under inert gas (nitrogen or Argon) at 2-8°C |
| Physical state | liquid |
| pKa (acidity coefficient) | -1.41±0.20(Predicted) |
| Color | Clear, colourless |
| InChI | InChI=1S/C11H19NO2/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4/h1,5-8H2,2-4H3 |
| InChIKey | PDTZMULNKGUIEJ-UHFFFAOYSA-N |
| SMILES | N1(C(OC(C)(C)C)=O)CCC(=C)CC1 |
| CAS DataBase Reference | 159635-49-1(CAS DataBase Reference) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302+H312+H332-H315-H319 |
| GHS precautionary statements | P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312 |
| Hazard symbols | Xi |
| Hazard Note | Irritant |
| Customs code | 2933399990 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Customs code | 2933399990 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| GHS hazard statements | H302+H312+H332-H315-H319 |
| GHS precautionary statements | P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312 |
Applications & Uses
Uses
tert-Butyl 4-Methylenepiperidine-1-carboxylate is a useful reagent for the design of anion exchange membranes (AEMs) and ionomers for use in storage devices such as fuel cells and batteries.