(S)-3-Amino-2-piperidone hydrochloride - CAS 42538-31-8

Catalog:	BB025156
Product Name:	(S)-3-Amino-2-piperidone hydrochloride
CAS:	42538-31-8
Synonyms:	(3S)-3-aminopiperidin-2-one;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	(3S)-3-aminopiperidin-2-one;hydrochloride
Description:	Ornithine-1,5-Lactam HCl, is an building block , used in the synthesis of various pharmaceutical compounds.
Molecular Weight:	150.61
Molecular Formula:	C5H11ClN2O
Canonical SMILES:	C1CC(C(=O)NC1)N.Cl
InChI:	InChI=1S/C5H10N2O.ClH/c6-4-2-1-3-7-5(4)8;/h4H,1-3,6H2,(H,7,8);1H/t4-;/m0./s1
InChI Key:	NLAYLURYAOXTTE-WCCKRBBISA-N
Melting Point:	180-182 °C
Purity:	96 %
Appearance:	White to off-white solid
LogP:	1.05480

Publication Number	Title	Priority Date
EP-3800188-A1	Substituted pyrazolopyrimidines as irak4 inhibitors	20191002
WO-2021064077-A1	Substituted pyrazolopyrimidines as irak4 inhibitors	20191002
US-2020383979-A1	Triaryl compounds for treatment of pd-l1 diseases	20190515
WO-2020232256-A1	Triaryl compounds for treatment of pd-l1 diseases	20190515
EP-3324947-A1	Effervescent formulations of ornithine aspartate	20150724

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Related Functional Groups

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Piperidones

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N-Boc-hexahydro-1H-azepin-4-one

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501
Signal Word:	Warning

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	150.0559907
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	150.0559907
Rotatable Bond Count:	0
Topological Polar Surface Area:	55.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0