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oxalic acid; tert-butyl 3-(piperidin-4-ylamino)pyrrolidine-1-carboxylate

oxalic acid; tert-butyl 3-(piperidin-4-ylamino)pyrrolidine-1-carboxylate

CAS: 1187928-04-6

Formula: C16H29N3O6

SMILES: OC(=O)C(O)=O.CC(C)(C)OC(=O)N1CCC(C1)NC1CCNCC1

IUPAC: oxalic acid; tert-butyl 3-[(piperidin-4-yl)amino]pyrrolidine-1-carboxylate

InChI: InChI=1/C14H27N3O2.C2H2O4/c1-14(2,3)19-13(18)17-9-6-12(10-17)16-11-4-7-15-8-5-11;3-1(4)2(5)6/h11-12,15-16H,4-10H2,1-3H3;(H,3,4)(H,5,6)

Composition: C (53.47%), H (8.13%), N (11.69%), O (26.71%)

Molar Mass: 359.423

Atom Count: 54

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 359.205635666
Formal Charge 0
FSP3 0.81
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey KNZAXESKAACAGT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.14
Topological Polar Surface Area 53.6
Polarizability 30.01
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1187928-04-6 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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