1-N-Boc-2-fluoromethylpiperazine - CAS 1017789-35-3
Catalog: |
BB061866 |
Product Name: |
1-N-Boc-2-fluoromethylpiperazine |
CAS: |
1017789-35-3 |
Synonyms: |
1-N-Boc-2-fluoromethylpiperazine; tert-Butyl 2-(fluoromethyl)piperazine-1-carboxylate; 2-Fluoromethyl-piperazine-1-carboxylic acid tert-butyl ester; 1-Piperazinecarboxylic acid, 2-(fluoromethyl)-, 1,1-dimethylethyl ester |
IUPAC Name: | tert-butyl 2-(fluoromethyl)piperazine-1-carboxylate |
Molecular Weight: | 218.27 |
Molecular Formula: | C10H19FN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCNCC1CF |
InChI: | InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-5-4-12-7-8(13)6-11/h8,12H,4-7H2,1-3H3 |
InChI Key: | WSZMTMVUMXXGHQ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112105419-A | Fused ring compound | 20181109 |
JP-2021512136-A | Condensation ring compound | 20181109 |
JP-6941241-B2 | Condensation ring compound | 20181109 |
JP-2021169500-A | Condensation ring compound | 20181109 |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.14305602 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.14305602 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 41.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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