N-Boc-3-butyn-2-amine - CAS 154181-98-3
Catalog: |
BB010984 |
Product Name: |
N-Boc-3-butyn-2-amine |
CAS: |
154181-98-3 |
Synonyms: |
N-but-3-yn-2-ylcarbamic acid tert-butyl ester; tert-butyl N-but-3-yn-2-ylcarbamate |
IUPAC Name: | tert-butyl N-but-3-yn-2-ylcarbamate |
Description: | An alkyl amine with a protecting group used in the preparation of antibacterial agents. |
Molecular Weight: | 169.22 |
Molecular Formula: | C9H15NO2 |
Canonical SMILES: | CC(C#C)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C9H15NO2/c1-6-7(2)10-8(11)12-9(3,4)5/h1,7H,2-5H3,(H,10,11) |
InChI Key: | AMWSEGBTTPQUKW-UHFFFAOYSA-N |
Appearance: | Solid |
LogP: | 1.73720 |
Publication Number | Title | Priority Date |
WO-2020206034-A1 | Cell cycle inhibiting compounds for the treatment of medical disorders | 20190401 |
WO-2019238786-A1 | Modulators of stimulator of interferon genes (sting) | 20180612 |
EP-3807264-A1 | Modulators of stimulator of interferon genes (sting) | 20180612 |
US-2020405725-A1 | Pyrazolopyrimidine derivative and use thereof | 20180228 |
EP-3760632-A1 | Pyrazolopyrimidine derivative and use thereof | 20180228 |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.110278721 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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