4-Methyl-1,4-diazepan-5-one Hydrochloride - CAS 329794-41-4
Catalog: |
BB021504 |
Product Name: |
4-Methyl-1,4-diazepan-5-one Hydrochloride |
CAS: |
329794-41-4 |
Synonyms: |
4-methyl-1,4-diazepan-5-one;hydrochloride; 4-methyl-1,4-diazepan-5-one;hydrochloride |
IUPAC Name: | 4-methyl-1,4-diazepan-5-one;hydrochloride |
Description: | 4-Methyl-1,4-diazepan-5-one Hydrochloride (CAS# 329794-41-4) is a useful research chemical. |
Molecular Weight: | 164.63 |
Molecular Formula: | C6H13ClN2O |
Canonical SMILES: | CN1CCNCCC1=O.Cl |
InChI: | InChI=1S/C6H12N2O.ClH/c1-8-5-4-7-3-2-6(8)9;/h7H,2-5H2,1H3;1H |
InChI Key: | VNIITBBDEHGCFC-UHFFFAOYSA-N |
MDL: | MFCD16872041 |
LogP: | 0.50680 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2017283790-B2 | Substituted pyridines as inhibitors of DNMT1 | 20160613 |
EP-3468953-A1 | Substituted pyridines as inhibitors of dnmt1 | 20160613 |
JP-2019517596-A | Substituted pyridines as inhibitors of DNMT1 | 20160613 |
US-2019194166-A1 | Substituted pyridines as inhibitors of dnmt1 | 20160613 |
WO-2017216726-A1 | Substituted pyridines as inhibitors of dnmt1 | 20160613 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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