3,4-Dihydroxy-alpha-(2-piperidyl)benzyl alcohol hydrobromide

Base Information

• Chemical Name: 3,4-Dihydroxy-alpha-(2-piperidyl)benzyl alcohol hydrobromide
• CAS No.: 32953-89-2
• Molecular Formula: C12H17NO3
• Molecular Weight: 223.27
• European Community (EC) Number: 251-305-2
• DSSTox Substance ID: DTXSID70186603
• Nikkaji Number: J238.490F
• Wikipedia: Rimiterol
• Wikidata: Q7334473
• NCI Thesaurus Code: C81639
• Mol file: 32953-89-2.mol

Synonyms:R 798;R-798;rimiterol;WG 253;WG-253

Chemical Property of 3,4-Dihydroxy-alpha-(2-piperidyl)benzyl alcohol hydrobromide

Chemical Property:

• Melting Point: 203-204°
• PSA: 72.72000
• LogP: 1.60210
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 223.12084340
• Heavy Atom Count: 16
• Complexity: 224

Purity/Quality:

95-99% ^*data from raw suppliers

RIMITEROL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCNC(C1)C(C2=CC(=C(C=C2)O)O)O
• Isomeric SMILES: C1CCN[C@H](C1)[C@H](C2=CC(=C(C=C2)O)O)O
• Uses: β2-agonist