1-(3-Bromopropyl)piperidine Hydrobromide - CAS 58689-34-2
Catalog: |
BB030126 |
Product Name: |
1-(3-Bromopropyl)piperidine Hydrobromide |
CAS: |
58689-34-2 |
Synonyms: |
1-(3-bromopropyl)piperidine;hydrobromide; 1-(3-bromopropyl)piperidine;hydrobromide |
IUPAC Name: | 1-(3-bromopropyl)piperidine;hydrobromide |
Description: | 1-(3-Bromopropyl)piperidine Hydrobromide (CAS# 58689-34-2) is used as a reagent in the preparation of oxadiazole derivatives as P2X7 antagonists for treatment and prevention of P2X7 - mediated diseases. |
Molecular Weight: | 287.04 |
Molecular Formula: | C8H17Br2N |
Canonical SMILES: | C1CCN(CC1)CCCBr.Br |
InChI: | InChI=1S/C8H16BrN.BrH/c9-5-4-8-10-6-2-1-3-7-10;/h1-8H2;1H |
InChI Key: | RWHMRQYPQWJGFP-UHFFFAOYSA-N |
LogP: | 3.15330 |
GHS Hazard Statement: | H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral] |
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 |
CA-3059525-A1 | Heterocyclic p2x7 antagonists | 20170503 |
CN-110770214-A | Heterocyclic P2X7 antagonists | 20170503 |
EP-3619200-A1 | Heterocyclic p2x7 antagonists | 20170503 |
US-2020055831-A1 | Heterocyclic p2x7 antagonists | 20170503 |
WO-2018202694-A1 | Heterocyclic p2x7 antagonists | 20170503 |
Complexity: | 79.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.97073 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.97277 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 3.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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