tert-butyl 3-(piperazin-1-yl)azetidine-1-carboxylate dihydrochloride

tert-butyl 3-(piperazin-1-yl)azetidine-1-carboxylate dihydrochloride

CAS: 2061980-49-0

Formula: C12H25Cl2N3O2

SMILES: Cl.Cl.CC(C)(C)OC(=O)N1CC(C1)N1CCNCC1

IUPAC: tert-butyl 3-(piperazin-1-yl)azetidine-1-carboxylate dihydrochloride

InChI: InChI=1S/C12H23N3O2.2ClH/c1-12(2,3)17-11(16)15-8-10(9-15)14-6-4-13-5-7-14;;/h10,13H,4-9H2,1-3H3;2*1H

Composition: C (45.87%), H (8.02%), Cl (22.56%), N (13.37%), O (10.18%)

Molar Mass: 314.25

Atom Count: 44

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	313.1323825
Formal Charge	0
FSP3	0.92
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PZRALZLWTQGVNT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.16
Topological Polar Surface Area	44.81
Polarizability	26.34
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	2061980-49-0		$51.70$51.70