1-Boc-3-bromopyrrolidine - CAS 939793-16-5
Catalog: |
BB041147 |
Product Name: |
1-Boc-3-bromopyrrolidine |
CAS: |
939793-16-5 |
Synonyms: |
tert-butyl 3-bromopyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl 3-bromopyrrolidine-1-carboxylate |
Description: | 1-Boc-3-bromopyrrolidine (CAS# 939793-16-5) is a useful research chemical. |
Molecular Weight: | 250.13 |
Molecular Formula: | C9H16BrNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(C1)Br |
InChI: | InChI=1S/C9H16BrNO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3 |
InChI Key: | QJTKPXFJOXKUEY-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD08752478 |
LogP: | 2.32860 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021190727-A1 | Compounds and their use in the treatment of bacterial infection | 20200324 |
CN-110862380-A | Small molecule compound | 20191024 |
WO-2021078022-A1 | Small molecule compound | 20191024 |
WO-2020244462-A1 | Indole derivatives and pharmaceutical use thereof | 20190603 |
WO-2020160711-A1 | Imidazo [2, 1-f] [1, 2, 4] triazin-4-amine derivatives as tlr7 agonist | 20190207 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.03644 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.03644 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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