3-methyl-1-(piperazin-1-yl)butan-1-one hydrochloride

3-methyl-1-(piperazin-1-yl)butan-1-one hydrochloride

CAS: 1181458-07-0

Formula: C9H19ClN2O

SMILES: Cl.CC(C)CC(=O)N1CCNCC1

IUPAC: 3-methyl-1-(piperazin-1-yl)butan-1-one hydrochloride

InChI: InChI=1S/C9H18N2O.ClH/c1-8(2)7-9(12)11-5-3-10-4-6-11;/h8,10H,3-7H2,1-2H3;1H

Composition: C (52.29%), H (9.26%), Cl (17.15%), N (13.55%), O (7.74%)

Molar Mass: 206.71

Atom Count: 32

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	206.1185909
Formal Charge	0
FSP3	0.89
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CUGWFMCPBHZJEU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.79
Topological Polar Surface Area	32.34
Polarizability	19.31
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<4 Days	1181458-07-0		$58.65-$302.45$58.65$124.20$302.45