3-(piperazin-2-yl)propanoic acid; bis(trifluoroacetic acid)

3-(piperazin-2-yl)propanoic acid; bis(trifluoroacetic acid)

CAS: 1263377-97-4

Formula: C11H16F6N2O6

SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)CCC1CNCCN1

IUPAC: 3-(piperazin-2-yl)propanoic acid; bis(trifluoroacetic acid)

InChI: InChI=1/C7H14N2O2.2C2HF3O2/c10-7(11)2-1-6-5-8-3-4-9-6;23-2(4,5)1(6)7/h6,8-9H,1-5H2,(H,10,11);2(H,6,7)

Composition: C (34.21%), H (4.18%), F (29.51%), N (7.25%), O (24.85%)

Molar Mass: 386.247

Atom Count: 41

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	386.091255221
Formal Charge	0
FSP3	0.73
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	WPYKAVNJWSJXMK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.66
Topological Polar Surface Area	61.36
Polarizability	16.48
Ring Count	1
Rotatable Bond Count	5

Suppliers

J&W PHARMLAB LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	1263377-97-4		$179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70