N-Benzylnortropinone - CAS 28957-72-4
Catalog: |
BB020028 |
Product Name: |
N-Benzylnortropinone |
CAS: |
28957-72-4 |
Synonyms: |
8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-one; 8-benzyl-8-azabicyclo[3.2.1]octan-3-one |
IUPAC Name: | 8-benzyl-8-azabicyclo[3.2.1]octan-3-one |
Description: | An intermediate for the preparation of β-Cocaine, opioid receptor antagonists, and CCR-5 receptor antagonists. |
Molecular Weight: | 215.29 |
Molecular Formula: | C14H17NO |
Canonical SMILES: | C1CC2CC(=O)CC1N2CC3=CC=CC=C3 |
InChI: | InChI=1S/C14H17NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2 |
InChI Key: | RSUHKGOVXMXCND-UHFFFAOYSA-N |
Boiling Point: | 342.9 ℃ at 760 mmHg |
Density: | 1.14 g/cm3 |
Appearance: | Yellow to yellow red liquid |
MDL: | MFCD00151640 |
LogP: | 2.32040 |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021073439-A1 | Pyrazine derivative for inhibiting shp2 activity | 20191014 |
CN-210357157-U | A retort for production of N benzyl tropine hydrochloric acid | 20190701 |
WO-2020022323-A1 | Heterobicyclic compounds for inhibiting the activity of shp2 | 20180724 |
TW-202019921-A | Heterobicyclic compounds for inhibiting SHP2 activity | 20180724 |
AU-2019309987-A1 | Heterobicyclic compounds for inhibiting the activity of shp2 | 20180724 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.131014166 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.3 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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