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

Technical Data

Safety and Hazards

Patents

Computed Properties

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

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

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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

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