1-Methyl-5-homopiperazinone - CAS 5441-40-7
Catalog: |
BB028649 |
Product Name: |
1-Methyl-5-homopiperazinone |
CAS: |
5441-40-7 |
Synonyms: |
1-methyl-1,4-diazepan-5-one; 1-methyl-1,4-diazepan-5-one |
IUPAC Name: | 1-methyl-1,4-diazepan-5-one |
Description: | 1-Methyl-5-homopiperazinone (CAS# 5441-40-7) is a useful research chemical. |
Molecular Weight: | 128.17 |
Molecular Formula: | C6H12N2O |
Canonical SMILES: | CN1CCC(=O)NCC1 |
InChI: | InChI=1S/C6H12N2O/c1-8-4-2-6(9)7-3-5-8/h2-5H2,1H3,(H,7,9) |
InChI Key: | FZYSZYWKHFCLSF-UHFFFAOYSA-N |
Boiling Point: | 274.8 ℃ at 760 mmHg |
Density: | 1.003 g/cm3 |
MDL: | MFCD09027949 |
LogP: | -0.29520 |
Publication Number | Title | Priority Date |
WO-2021028382-A1 | [1,2,4]triazolo[1,5-c]quinazolin-5-amines | 20190812 |
WO-2020224568-A1 | Cdk inhibitors | 20190505 |
EP-3831823-A1 | Preparation and application of aromatic compound having immunoregulatory function | 20180801 |
WO-2020021021-A1 | Ortho substituted phenoxypropylamino and benzyloxypropylamino derivatives having multimodal activity against pain | 20180727 |
WO-2019153080-A1 | Inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof | 20180206 |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.094963011 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 32.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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