5-Amino-1-methyl-2-piperidinone - CAS 90485-53-3

Catalog:	BB039870
Product Name:	5-Amino-1-methyl-2-piperidinone
CAS:	90485-53-3
Synonyms:	5-amino-1-methyl-2-piperidinone; 5-amino-1-methylpiperidin-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-amino-1-methylpiperidin-2-one
Description:	5-Amino-1-methyl-2-piperidinone (CAS# 90485-53-3) is a useful research chemical.
Molecular Weight:	128.17
Molecular Formula:	C6H12N2O
Canonical SMILES:	CN1CC(CCC1=O)N
InChI:	InChI=1S/C6H12N2O/c1-8-4-5(7)2-3-6(8)9/h5H,2-4,7H2,1H3
InChI Key:	ABXJTTPAABNOFP-UHFFFAOYSA-N
LogP:	0.20410

Publication Number	Title	Priority Date
US-2020361898-A1	Nlrp3 inflammasome inhibitors	20190517
US-2020361899-A1	Nlrp3 inflammasome inhibitors	20190517
WO-2020234715-A1	Nlrp3 inflammasome inhibitors	20190517
WO-2020210828-A1	(aza)indazolyl-aryl sulfonamide and related compounds and their use in treating medical conditions	20190412
AU-2018391675-A1	Sulphonyl urea derivatives as NLRP3 inflammasome modulators	20171218

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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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	124
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:	46.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.1