N-Cbz-4-Nortropinone - CAS 130753-13-8
Catalog: |
BB007165 |
Product Name: |
N-Cbz-4-Nortropinone |
CAS: |
130753-13-8 |
Synonyms: |
3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid (phenylmethyl) ester; benzyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate |
IUPAC Name: | benzyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate |
Description: | N-Cbz-4-Nortropinone (CAS# 130753-13-8) is a useful research chemical. |
Molecular Weight: | 259.30 |
Molecular Formula: | C15H17NO3 |
Canonical SMILES: | C1CC2CC(=O)CC1N2C(=O)OCC3=CC=CC=C3 |
InChI: | InChI=1S/C15H17NO3/c17-14-8-12-6-7-13(9-14)16(12)15(18)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2 |
InChI Key: | RMIQGRJJCNFRRU-UHFFFAOYSA-N |
Boiling Point: | 415.7 °C at 760 mmHg |
Density: | 1.241 g/cm3 |
MDL: | MFCD14279161 |
LogP: | 2.45700 |
GHS Hazard Statement: | H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P354+P338, and P317 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020079106-A1 | Chromen-4-one derivatives for the treatment and prophylaxis of hepatitis b virus disease | 20181019 |
CN-112839714-A | Chromen-4-one derivatives for the treatment and prevention of hepatitis B virus diseases | 20181019 |
EP-3866929-A1 | Chromen-4-one derivatives for the treatment and prophylaxis of hepatitis b virus disease | 20181019 |
WO-2020022323-A1 | Heterobicyclic compounds for inhibiting the activity of shp2 | 20180724 |
TW-202019921-A | Heterobicyclic compounds for inhibiting SHP2 activity | 20180724 |
Complexity: | 346 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.1208434 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.1208434 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.6 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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