azepan-3-one hydrochloride - CAS 65326-54-7
Catalog: |
BB032700 |
Product Name: |
azepan-3-one hydrochloride |
CAS: |
65326-54-7 |
Synonyms: |
3-azepanone;hydrochloride; azepan-3-one;hydrochloride |
IUPAC Name: | azepan-3-one;hydrochloride |
Description: | azepan-3-one hydrochloride (CAS# 65326-54-7) is a useful research chemical. |
Molecular Weight: | 149.618 |
Molecular Formula: | C6H12ClNO |
Canonical SMILES: | C1CCNCC(=O)C1.Cl |
InChI: | InChI=1S/C6H11NO.ClH/c8-6-3-1-2-4-7-5-6;/h7H,1-5H2;1H |
InChI Key: | IZBQGYSXJGCMNV-UHFFFAOYSA-N |
LogP: | 1.45980 |
Publication Number | Title | Priority Date |
US-2020317689-A1 | Bridged tricyclic carbamoylpyridone compounds and their pharmaceutical use | 20190322 |
WO-2020197991-A1 | Bridged tricyclic carbamoylpyridone compounds and their pharmaceutical use | 20190322 |
TW-202102499-A | Bridged tricyclic carbamoylpyridone compounds and their pharmaceutical use | 20190322 |
US-11084832-B2 | Bridged tricyclic carbamoylpyridone compounds and their pharmaceutical use | 20190322 |
Complexity: | 90.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.0607417 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.0607417 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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