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oxalic acid; bis(tert-butyl 2-cyanopiperazine-1-carboxylate)

oxalic acid; bis(tert-butyl 2-cyanopiperazine-1-carboxylate)

CAS: 1523617-98-2

Formula: C22H36N6O8

SMILES: OC(=O)C(O)=O.CC(C)(C)OC(=O)N1CCNCC1C#N.CC(C)(C)OC(=O)N1CCNCC1C#N

IUPAC: oxalic acid; bis(tert-butyl 2-cyanopiperazine-1-carboxylate)

InChI: InChI=1/2C10H17N3O2.C2H2O4/c2*1-10(2,3)15-9(14)13-5-4-12-7-8(13)6-11;3-1(4)2(5)6/h2*8,12H,4-5,7H2,1-3H3;(H,3,4)(H,5,6)

Composition: C (51.55%), H (7.08%), N (16.40%), O (24.97%)

Molar Mass: 512.564

Atom Count: 72

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 512.259462143
Formal Charge 0
FSP3 0.73
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey AOFXCSGQRJPFEH-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 55.25
Topological Polar Surface Area 65.36
Polarizability 21.73
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1523617-98-2 $97.10$97.10
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