N-Boc-9-azabicyclo[3.3.1]nonan-3-one - CAS 512822-27-4
Catalog: |
BB027391 |
Product Name: |
N-Boc-9-azabicyclo[3.3.1]nonan-3-one |
CAS: |
512822-27-4 |
Synonyms: |
9-Boc-3-oxo-9-azabicyclo[3.3.1]nonane; 3-Oxo-9-aza-bicyclo3.3.1none-9-carboxylic acid tert-butyl ester |
IUPAC Name: | tert-butyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate |
Description: | N-Boc-9-azabicyclo[3.3.1]nonan-3-one (CAS# 512822-27-4) is a useful research chemical. |
Molecular Weight: | 239.31 |
Molecular Formula: | C13H21NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C2CCCC1CC(=O)C2 |
InChI: | InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-9-5-4-6-10(14)8-11(15)7-9/h9-10H,4-8H2,1-3H3 |
InChI Key: | YEKYAQUJESJBFI-UHFFFAOYSA-N |
Boiling Point: | 342.9±35.0 °C at 760 mmHg |
Density: | 1.1 g/cm3 |
Appearance: | White Solid |
MDL: | MFCD09997838 |
LogP: | 2.44540 |
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-2020163544-A1 | Methods and compositions for modulating splicing | 20190206 |
WO-2020163647-A1 | Methods and compositions for modulating splicing | 20190206 |
WO-2020163405-A1 | Methods and compositions for modulating splicing | 20190205 |
WO-2020163541-A1 | Methods and compositions for modulating splicing | 20190205 |
WO-2020163323-A1 | Methods and compositions for modulating splicing | 20190204 |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.15214353 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.15214353 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.6 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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