1-(2-Bromoethyl)pyrrolidine Hydrobromide - CAS 80819-91-6
Catalog: |
BB036557 |
Product Name: |
1-(2-Bromoethyl)pyrrolidine Hydrobromide |
CAS: |
80819-91-6 |
Synonyms: |
1-(2-bromoethyl)pyrrolidine;hydrobromide; 1-(2-bromoethyl)pyrrolidine;hydrobromide |
IUPAC Name: | 1-(2-bromoethyl)pyrrolidine;hydrobromide |
Description: | 1-(2-Bromoethyl)pyrrolidine Hydrobromide (CAS# 80819-91-6) is a useful research chemical. It is the bromine salt of 1-(2-Bromoethyl)pyrrolidine (B678248) which is a useful reactant for the electrochemical synthesis of 1H-substituted benzimidazoles, which is commonly found in FDA approved drugs. |
Molecular Weight: | 258.98 |
Molecular Formula: | C6H13Br2N |
Canonical SMILES: | C1CCN(C1)CCBr.Br |
InChI: | InChI=1S/C6H12BrN.BrH/c7-3-6-8-4-1-2-5-8;/h1-6H2;1H |
InChI Key: | ZJVSYQSFBOFWIU-UHFFFAOYSA-N |
Boiling Point: | 233.9 °C at 760 mmHg |
LogP: | 2.37310 |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10851073-B2 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20190314 |
US-2020299246-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20190314 |
WO-2020186199-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20190314 |
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AU-2017228385-A1 | Substituted indole Mcl-1 inhibitors | 20160304 |
Complexity: | 59.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.93943 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.94147 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 3.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Pyrrolidines
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