9-Boc-7-oxa-9-azabicyclo[3.3.1]nonan-3-one - CAS 280761-97-9
Catalog: |
BB019760 |
Product Name: |
9-Boc-7-oxa-9-azabicyclo[3.3.1]nonan-3-one |
CAS: |
280761-97-9 |
Synonyms: |
7-oxo-3-oxa-9-aza-bicyclo[3.3.1]nonane-9-carboxylic acid tert-butyl ester |
IUPAC Name: | tert-butyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate |
Description: | 9-Boc-7-oxa-9-azabicyclo[3.3.1]nonan-3-one (CAS# 280761-97-9) is a useful research chemical. |
Molecular Weight: | 241.28 |
Molecular Formula: | C12H19NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C2CC(=O)CC1COC2 |
InChI: | InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-8-4-10(14)5-9(13)7-16-6-8/h8-9H,4-7H2,1-3H3 |
InChI Key: | CQLVVTNYEYTHMM-UHFFFAOYSA-N |
Appearance: | White Solid |
LogP: | 1.29170 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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-2020163541-A1 | Methods and compositions for modulating splicing | 20190205 |
WO-2020153431-A1 | Ester compound | 20190124 |
WO-2020153432-A1 | Amino acid compound | 20190124 |
Complexity: | 318 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.13140809 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.13140809 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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