[3-(Dimethylamino)propyl]triphenylphosphonium Bromide Hydrobromide - CAS 27710-82-3
Catalog: |
BB019654 |
Product Name: |
[3-(Dimethylamino)propyl]triphenylphosphonium Bromide Hydrobromide |
CAS: |
27710-82-3 |
Synonyms: |
3-(dimethylamino)propyl-triphenylphosphonium;bromide;hydrobromide; 3-(dimethylamino)propyl-triphenylphosphanium;bromide;hydrobromide |
IUPAC Name: | 3-(dimethylamino)propyl-triphenylphosphanium;bromide;hydrobromide |
Description: | [3-(Dimethylamino)propyl]triphenylphosphonium Bromide Hydrobromide (CAS# 27710-82-3) is a useful reagent in the study of oxetanes as promising modules in drug discovery. |
Molecular Weight: | 509.26 |
Molecular Formula: | C23H28Br2NP |
Canonical SMILES: | CN(C)CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.Br.[Br-] |
InChI: | InChI=1S/C23H27NP.2BrH/c1-24(2)19-12-20-25(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23;;/h3-11,13-18H,12,19-20H2,1-2H3;2*1H/q+1;;/p-1 |
InChI Key: | NEQVFHFOWYYPBS-UHFFFAOYSA-M |
MDL: | MFCD00077740 |
LogP: | 1.89430 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112457287-A | Preparation method of E-olopatadine | 20201209 |
CN-112375060-A | Post-treatment purification method of olopatadine hydrochloride | 20201207 |
CN-106046053-A | Preparation method of [3-(dimethylamino)propyl]triphenylphosphonium bromide hydrobromide | 20160608 |
CN-105693685-B | The preparation process of Olopatadine hydrochloride | 20160201 |
CA-2927872-A1 | A process for the preparation of olopatadine and sylil intermediates thereof | 20131104 |
Complexity: | 317 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 509.03056 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 507.03261 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 3.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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