Cat No:BMSPEM-0158
4-Phenylbutylammonium chloride is the hydrochloride of 4-phenylbutylamine, in which a terminal primary ammonium sits four carbons away from a phenyl ring. The salt is a recognised intermediate in organic synthesis, and peer-reviewed work cites it in synergy studies of zinc-ion desolvation and diffusion acceleration for high-performance aqueous zinc batteries at low temperature. The reagent is refined through four purification passes to >=99%, melts at 163-167 C, dissolves in DMF and DMSO, and is stored under argon protected from light, moisture and air.
| Chemical Formula | C10H15N.HCl |
| Molecular Weight | 185.70 |
| Storage Conditions | Protect from light; store at room temperature under argon |
| Purity | >=99% (4 Times Purification) |
| Primary Application | Organic synthesis intermediate; cited in aqueous zinc battery electrolyte additive research |
| EC Number | 806-941-0 |
| English Synonyms | 4-phenylbutylamine hydrochloride; 1-amino-4-phenylbutane hydrochloride; 4-phenylbutan-1-amine hydrochloride; 4-phenylbutylammonium chloride |
| Specification | >=99% (4 Times Purification) |
| Molecular Type | Small molecule |
| Solubility | Soluble in DMF, DMSO et al |
| Melting Point | 163-167 C |
| Sensitivity | Moisture-sensitive; air-sensitive; light-sensitive |
| PubChem SID | 504770426 |
| IUPAC Name | 4-phenylbutan-1-amine;hydrochloride |
| InChI | 1S/C10H15N.ClH/c11-9-5-4-8-10-6-2-1-3-7-10;/h1-3,6-7H,4-5,8-9,11H2;1H |
| InChI Key | DGDORWAJHREUEO-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C=C1)CCCCN.Cl |
| Isomeric SMILES | C1=CC=C(C=C1)CCCCN.Cl |
| GHS Pictograms | GHS07 |
| Signal Word | Warning |
| Hazard Statements | H315: Causes skin irritation; H319: Causes serious eye irritation |
| Precautionary Statements | P264: Wash thoroughly after handling; P280: Wear protective gloves/protective clothing/eye protection/face protection; P321: Specific treatment (see on this label); P302+P352: IF ON SKIN: Wash with plenty of water; P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing; P362+P364: Take off contaminated clothing and wash it before reuse; P264+P265: Wash thoroughly after handling; do not touch eyes; P337+P317: If eye irritation persists: Get medical help; P332+P317: If skin irritation occurs: Get medical help |
| Shipping Conditions | Regular shipping |
| Available Package Sizes | 50 mg |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 185.097 Da |
| Monoisotopic Mass | 185.097 Da |
| Topological Polar Surface Area | 26.000 A^2 |
| Heavy Atom Count | 12 |
| Complexity | 84.900 |
| Covalently Bonded Unit Count | 2 |
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