trans-4-Amino-1-Boc-3-fluoropiperidine - CAS 907544-16-5
Catalog: |
BB039941 |
Product Name: |
trans-4-Amino-1-Boc-3-fluoropiperidine |
CAS: |
907544-16-5 |
Synonyms: |
(3R,4R)-4-amino-3-fluoro-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl (3R,4R)-4-amino-3-fluoropiperidine-1-carboxylate |
IUPAC Name: | tert-butyl (3R,4R)-4-amino-3-fluoropiperidine-1-carboxylate |
Description: | trans-4-Amino-1-Boc-3-fluoropiperidine (CAS# 907544-16-5) is a useful research chemical compound. |
Molecular Weight: | 218.27 |
Molecular Formula: | C10H19FN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(C(C1)F)N |
InChI: | InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-5-4-8(12)7(11)6-13/h7-8H,4-6,12H2,1-3H3/t7-,8-/m1/s1 |
InChI Key: | ZQRYPCAUVKVMLZ-HTQZYQBOSA-N |
Boiling Point: | 285.6 °C at 760 mmHg |
Density: | 1.11 g/cm3 |
MDL: | MFCD18791211 |
LogP: | 1.93080 |
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-2021087025-A1 | Pyridazinones as parp7 inhibitors | 20191030 |
WO-2020239103-A1 | Btk inhibitor ring derivative, preparation method therefor and pharmaceutical application thereof | 20190531 |
WO-2017069226-A1 | Novel nitrogen-containing aromatic heterocyclic compound | 20151023 |
US-10717731-B2 | Nitrogen-containing aromatic heterocyclic compound | 20151023 |
EP-3347349-B1 | Fluoroindole derivatives as muscarinic m1 receptor positive allosteric modulators | 20150910 |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
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: | 2 |
Topological Polar Surface Area: | 55.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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