HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Bromopropylazanium;bromide
3-bromopropan-1-amine hydrobromide · amine hydrobromide · 3-Bromopropylamine Hydrobromate · 3-BromopropyL · Pemafibrate SM1-Imp5 · 3-BROMOPROPYLAMINE HBR · 3-Brompropylaminhydrobromid · 3-BROMOPROPYLAMMONIUM BROMIDE
Identifiers & Physical Properties
| CAS No. | 5003-71-4 |
|---|---|
| Molecular formula | C3H9Br2N |
| Average molar mass | 218.92 g/mol |
| Monoisotopic mass | 216.91017 g/mol |
| SMILES | [Br-].[NH3+]CCCBr |
| InChIKey | PQIYSSSTRHVOBW-UHFFFAOYSA-N |
| PubChem CID | 11031334 |
Chemical & Physical Properties
| Topological polar surface area | 27.6 |
|---|---|
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 2 |
| Heavy atoms | 6 |
| Formal charge | 0 |
| Complexity | 16 |
| Melting point | 171-172 °C(lit.) |
| Storage conditions | Inert atmosphere,Room Temperature |
| Physical state | Powder or Chunks |
| Color | White to off-white |
| Solubility | Soluble in water (50 mg/ml). |
| Sensitivity | Hygroscopic |
| BRN | 3906418 |
| InChI | InChI=1S/C3H8BrN.BrH/c4-2-1-3-5/h1-3,5H21H |
| InChIKey | PQIYSSSTRHVOBW-UHFFFAOYSA-N |
| SMILES | C(CBr)CN.Br |
| CAS DataBase Reference | 5003-71-4(CAS DataBase Reference) |
| EPA Substance Registry System | 1-Propanamine, 3-bromo-, hydrobromide (5003-71-4) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36-37/39 |
| Water hazard class (WGK) | 3 |
| RTECS number | UH9925000 |
| TSCA inventory status | TSCA listed |
| Customs code | 29211980 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
|---|---|
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | UH9925000 |
| Customs code | 29211980 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36-37/39 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
3-Bromopropylamine hydrobromide is used as pharmaceutical raw materials and intermediates. Homotaurine is synthesized from 3-bromopropylamine hydrobromide.
Uses
3-Bromopropylamine hydrobromide is commonly used as a reagent to introduce propylamine group to the molecular skeleton. Some of the other reported applications include:Synthesis of photochemically and thermally reactive azobenzene rotaxane and indolocarbazole-containing [2]rotaxane.Synthesis of indenoisoquinoline based active topoisomerase I inhibitors as anticancer agents.