tert-butyl 4-[2-(3-aminophenoxy)ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-(3-aminophenoxy)ethyl]piperazine-1-carboxylate

CAS: 1135283-72-5

Formula: C17H27N3O3

SMILES: CC(C)(C)OC(=O)N1CCN(CCOC2=CC(N)=CC=C2)CC1

IUPAC: tert-butyl 4-[2-(3-aminophenoxy)ethyl]piperazine-1-carboxylate

InChI: InChI=1S/C17H27N3O3/c1-17(2,3)23-16(21)20-9-7-19(8-10-20)11-12-22-15-6-4-5-14(18)13-15/h4-6,13H,7-12,18H2,1-3H3

Composition: C (63.53%), H (8.47%), N (13.07%), O (14.93%)

Molar Mass: 321.421

Atom Count: 50

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	321.205241741
Formal Charge	0
FSP3	0.59
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	MLXGEAQWQODNJK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.99
Topological Polar Surface Area	68.03
Polarizability	35.11
Ring Count	2
Rotatable Bond Count	6

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95%	<2 Days	1135283-72-5		$51.35-$359.43$51.35$63.37$86.31$225.06$359.43