1-Boc-3-(bromomethyl)azetidine - CAS 253176-93-1
Catalog: |
BB018856 |
Product Name: |
1-Boc-3-(bromomethyl)azetidine |
CAS: |
253176-93-1 |
Synonyms: |
3-(bromomethyl)-1-azetidinecarboxylic acid tert-butyl ester; tert-butyl 3-(bromomethyl)azetidine-1-carboxylate |
IUPAC Name: | tert-butyl 3-(bromomethyl)azetidine-1-carboxylate |
Description: | 1-Boc-3-(bromomethyl)azetidine (CAS# 253176-93-1) is a useful research chemical. |
Molecular Weight: | 250.13 |
Molecular Formula: | C9H16BrNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(C1)CBr |
InChI: | InChI=1S/C9H16BrNO2/c1-9(2,3)13-8(12)11-5-7(4-10)6-11/h7H,4-6H2,1-3H3 |
InChI Key: | PUKCUGDJEPVLPR-UHFFFAOYSA-N |
Solubility: | Sparingly soluble in water at 25°C, 0.83 g/L. |
Appearance: | Pale yellow solid or liquid |
MDL: | MFCD16556174 |
LogP: | 2.18610 |
GHS Hazard Statement: | H302 (25%): 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-2021190727-A1 | Compounds and their use in the treatment of bacterial infection | 20200324 |
CN-113214227-A | Heterocyclic compound and application thereof | 20200121 |
CN-110981803-A | Anti-tumor compound and synthesis method and application thereof | 20191101 |
CN-110981803-B | Anti-tumor compound and synthesis method and application thereof | 20191101 |
US-2021147360-A1 | Ssao inhibitors and use thereof | 20191029 |
Complexity: | 194 |
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: | 3 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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