4-hydroxy-2-piperidinone - CAS 476014-76-3

Catalog:	BB026350
Product Name:	4-hydroxy-2-piperidinone
CAS:	476014-76-3
Synonyms:	4-hydroxy-2-piperidinone; 4-hydroxypiperidin-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-hydroxypiperidin-2-one
Description:	4-hydroxy-2-piperidinone (CAS# 476014-76-3) is a synthetic intermediate in the synthesis of pharmaceutical goods.
Molecular Weight:	115.13
Molecular Formula:	C5H9NO2
Canonical SMILES:	C1CNC(=O)CC1O
InChI:	InChI=1S/C5H9NO2/c7-4-1-2-6-5(8)3-4/h4,7H,1-3H2,(H,6,8)
InChI Key:	PRCAKTIAKXMBQF-UHFFFAOYSA-N
Boiling Point:	352.3 °C at 760 mmHg
Purity:	95 %
Density:	1.199 g/cm³
LogP:	-0.41390

Publication Number	Title	Priority Date
WO-2021110076-A1	Oxamide derivatives, preparation method therefor and use thereof in medicine	20191204
WO-2021110656-A1	Oga inhibitor compounds	20191202
JP-2020106820-A	Quantum dot, ink composition and printed matter	20181226
WO-2020119819-A1	Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	20181214
CN-113227074-A	Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods	20181214

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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:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	115.063328530
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	115.063328530
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-1