1-methylpiperidin-3-one hydrate hydrochloride

1-methylpiperidin-3-one hydrate hydrochloride

CAS: 102014-40-4

Formula: C6H14ClNO2

SMILES: O.Cl.CN1CCCC(=O)C1

IUPAC: 1-methylpiperidin-3-one hydrate hydrochloride

InChI: InChI=1S/C6H11NO.ClH.H2O/c1-7-4-2-3-6(8)5-7;;/h2-5H2,1H3;1H;1H2

Composition: C (42.99%), H (8.42%), Cl (21.15%), N (8.36%), O (19.09%)

Molar Mass: 167.63

Atom Count: 24

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	167.0713064
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GNBKBPKOBUYVRD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.52
Topological Polar Surface Area	20.31
Polarizability	12.65
Ring Count	1
Rotatable Bond Count	0

Suppliers

J&W PHARMLAB LLC

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	102014-40-4		$112.70-$917.70$112.70$124.20$143.75$171.35$227.70$917.70