HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(Pyrrolidin-1-yl)butan-1-amine
RARECHEM AL BW 0242 · TIMTEC-BB SBB010289 · PYRROLIDINOBUTYLAMINE · 4-PyrrolidinbutylaMine · 4-PYRROLIDINOBUTYLAMINE · 1-Pyrrolidinebutanamine · 1-Pyrrolidinebutan-1-amine · 4-(1-PYRROLIDINO)BUTYLAMINE
Identifiers & Physical Properties
| CAS No. | 24715-90-0 |
|---|---|
| Molecular formula | C8H18N2 |
| Average molar mass | 142.24 g/mol |
| Monoisotopic mass | 142.14699858 g/mol |
| SMILES | NCCCCN1CCCC1 |
| InChIKey | LSDYCEIPEBJKPT-UHFFFAOYSA-N |
| PubChem CID | 2762762 |
| EC No. | 679-137-9 |
| DTXSID | DTXSID90376428 |
Chemical & Physical Properties
| XLogP | 0.5 |
|---|---|
| Topological polar surface area | 29.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 4 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 77.3 |
| Boiling point | 97°C 15mm |
| Density | 0.923±0.06 g/cm3(Predicted) |
| Storage conditions | 2-8°C(protect from light) |
| pKa (acidity coefficient) | 10.48±0.20(Predicted) |
| Appearance | Colorless to light yellow Liquid |
| Solubility | Soluble in water |
| Sensitivity | Air Sensitive |
| CAS DataBase Reference | 24715-90-0(CAS DataBase Reference) |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314-H318 |
| GHS precautionary statements | P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a |
| Hazard symbols | C |
| Risk statements (R) | 34 |
| Safety statements (S) | 26-36/37/39 |
| UN transport number | 2735 |
| Hazard class | 8 |
| Packing group | III |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| GHS classification | DangerH314 (96%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 25 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (96%) |
| UN transport number | 2735 |
| Risk statements (R) | 34 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | C |
| Safety statements (S) | 26-36/37/39 |
| Hazard class | 8 |
| Packing group | III |
| GHS hazard statements | H314-H318 |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| GHS precautionary statements | P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
4-(1-Pyrrolidinyl)-1-butanamine is a useful reagent used in the preparation of imidazolidinedione derivatives used as antimalarial agents. A building block for organic synthesis.