1-Benzyl-azepan-3-one - CAS 146407-32-1
Catalog: |
BB010083 |
Product Name: |
1-Benzyl-azepan-3-one |
CAS: |
146407-32-1 |
Synonyms: |
1-(phenylmethyl)-3-azepanone; 1-benzylazepan-3-one |
IUPAC Name: | 1-benzylazepan-3-one |
Description: | 1-Benzyl-azepan-3-one (CAS# 146407-32-1) is a useful research chemical. |
Molecular Weight: | 203.28 |
Molecular Formula: | C13H17NO |
Canonical SMILES: | C1CCN(CC(=O)C1)CC2=CC=CC=C2 |
InChI: | InChI=1S/C13H17NO/c15-13-8-4-5-9-14(11-13)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2 |
InChI Key: | HGWZSFXXGQVVAQ-UHFFFAOYSA-N |
Boiling Point: | 312.6 ℃ at 760 mmHg |
Density: | 1.069 g/cm3 |
MDL: | MFCD10568165 |
LogP: | 2.17950 |
Publication Number | Title | Priority Date |
EP-3246317-A1 | Btk inhibitor | 20150114 |
US-10662174-B2 | BTK inhibitor | 20150114 |
US-2017313683-A1 | Btk inhibitor | 20150114 |
AU-2007287601-A1 | New pyridone derivatives with MCH antagonistic activity and medicaments comprising these compounds | 20060825 |
AU-2007287601-B2 | New pyridone derivatives with MCH antagonistic activity and medicaments comprising these compounds | 20060825 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.131014166 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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