1-Boc-2-(bromomethyl)pyrrolidine - CAS 181258-46-8
Catalog: |
BB013797 |
Product Name: |
1-Boc-2-(bromomethyl)pyrrolidine |
CAS: |
181258-46-8 |
Synonyms: |
2-(bromomethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl 2-(bromomethyl)pyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl 2-(bromomethyl)pyrrolidine-1-carboxylate |
Description: | 1-Boc-2-(bromomethyl)pyrrolidine (CAS# 181258-46-8) is a useful research chemical. |
Molecular Weight: | 264.16 |
Molecular Formula: | C10H18BrNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCCC1CBr |
InChI: | InChI=1S/C10H18BrNO2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-7H2,1-3H3 |
InChI Key: | OSMADJAEHVCZKN-UHFFFAOYSA-N |
LogP: | 2.71870 |
GHS Hazard Statement: | H302 (100%): 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 |
WO-2020030925-A1 | Heterocyclic substituted ureas, for use against cancer | 20180810 |
WO-2019211463-A1 | Novel compounds | 20180504 |
AU-2019263682-A1 | Novel compounds | 20180504 |
EP-3788041-A1 | Novel compounds | 20180504 |
KR-20210016344-A | Novel compound | 20180504 |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.05209 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.05209 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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Pyrrolidines
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