1-Methyl-1,4-diazepan-2-one Hydrochloride - CAS 685859-01-2
Catalog: |
BB033587 |
Product Name: |
1-Methyl-1,4-diazepan-2-one Hydrochloride |
CAS: |
685859-01-2 |
Synonyms: |
1-methyl-1,4-diazepan-2-one;hydrochloride; 1-methyl-1,4-diazepan-2-one;hydrochloride |
IUPAC Name: | 1-methyl-1,4-diazepan-2-one;hydrochloride |
Description: | 1-Methyl-1,4-diazepan-2-one Hydrochloride (CAS# 685859-01-2) is a useful research chemical. |
Molecular Weight: | 164.63 |
Molecular Formula: | C6H13ClN2O |
Canonical SMILES: | CN1CCCNCC1=O.Cl |
InChI: | InChI=1S/C6H12N2O.ClH/c1-8-4-2-3-7-5-6(8)9;/h7H,2-5H2,1H3;1H |
InChI Key: | FTNDDOQJRISISV-UHFFFAOYSA-N |
MDL: | MFCD19443962 |
LogP: | 0.50680 |
Publication Number | Title | Priority Date |
EP-3555082-A1 | Ether linked triazoles as nrf2 regulators | 20161215 |
US-2020071317-A1 | Ether linked triazoles as nrf2 activators | 20161215 |
WO-2018109649-A1 | Ether linked triazoles as nrf2 regulators | 20161215 |
EP-3555068-A1 | 3-oxo-1,4-diazepinyle compounds as nrf2 activators | 20161214 |
JP-2020502129-A | 3-oxo-1,4-diazepinyl compounds as NRF2 activators | 20161214 |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.0716407 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.0716407 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 32.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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