cis-4-Amino-1-Boc-3-fluoropiperidine - CAS 577691-56-6
Catalog: |
BB029810 |
Product Name: |
cis-4-Amino-1-Boc-3-fluoropiperidine |
CAS: |
577691-56-6 |
Synonyms: |
(3S,4R)-4-amino-3-fluoro-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate |
IUPAC Name: | tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate |
Description: | cis-4-Amino-1-Boc-3-fluoropiperidine (CAS# 577691-56-6) is a useful research chemical compound. |
Molecular Weight: | 436.54 |
Molecular Formula: | C20H38F2N4O4 |
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+/m0/s1 |
InChI Key: | ZQRYPCAUVKVMLZ-JGVFFNPUSA-N |
Boiling Point: | 285.587 °C at 760 mmHg |
Density: | 1.11 g/cm3 |
LogP: | 1.26410 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021130342-A1 | Pyridazinones as parp7 inhibitors | 20191030 |
WO-2021087025-A1 | Pyridazinones as parp7 inhibitors | 20191030 |
CN-112236431-A | Purinone compounds and their use in the treatment of cancer | 20180615 |
US-2021171525-A1 | Purinone compounds and their use in treating cancer | 20180615 |
WO-2019215341-A1 | Furin inhibitors | 20180511 |
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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Amines and Anilines
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