1-Methyl-1,4-diazepan-2-one - CAS 60565-89-1
Catalog: |
BB030735 |
Product Name: |
1-Methyl-1,4-diazepan-2-one |
CAS: |
60565-89-1 |
Synonyms: |
1-methyl-1,4-diazepan-2-one; 1-methyl-1,4-diazepan-2-one |
IUPAC Name: | 1-methyl-1,4-diazepan-2-one |
Description: | 1-Methyl-1,4-diazepan-2-one (CAS# 60565-89-1) is a useful research chemical. |
Molecular Weight: | 128.17 |
Molecular Formula: | C6H12N2O |
Canonical SMILES: | CN1CCCNCC1=O |
InChI: | InChI=1S/C6H12N2O/c1-8-4-2-3-7-5-6(8)9/h7H,2-5H2,1H3 |
InChI Key: | UCVJSGPCVKPWLY-UHFFFAOYSA-N |
Boiling Point: | 274.796 °C at 760 mmHg |
Density: | 1.003 g/cm3 |
Appearance: | Solid |
MDL: | MFCD08460178 |
LogP: | -0.29520 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021080359-A1 | Bicyclic compound and use thereof | 20191023 |
WO-2020224568-A1 | Cdk inhibitors | 20190505 |
WO-2018109649-A1 | Ether linked triazoles as nrf2 regulators | 20161215 |
WO-2018109648-A1 | 3-oxo-1,4-diazepinyle compounds as nrf2 activators | 20161214 |
EP-3555068-B1 | 3-oxo-1,4-diazepinyle compounds as nrf2 activators | 20161214 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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