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oxalic acid; tert-butyl 4-carbamimidoylpiperidine-1-carboxylate

oxalic acid; tert-butyl 4-carbamimidoylpiperidine-1-carboxylate

CAS: 1187929-57-2

Formula: C13H23N3O6

SMILES: OC(=O)C(O)=O.CC(C)(C)OC(=O)N1CCC(CC1)C(N)=N

IUPAC: oxalic acid; tert-butyl 4-carbamimidoylpiperidine-1-carboxylate

InChI: InChI=1S/C11H21N3O2.C2H2O4/c1-11(2,3)16-10(15)14-6-4-8(5-7-14)9(12)13;3-1(4)2(5)6/h8H,4-7H2,1-3H3,(H3,12,13);(H,3,4)(H,5,6)

Composition: C (49.20%), H (7.31%), N (13.24%), O (30.25%)

Molar Mass: 317.342

Atom Count: 45

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 317.158685473
Formal Charge 0
FSP3 0.69
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey SAWZXABLOCBPPN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.49
Topological Polar Surface Area 79.41
Polarizability 24.05
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1187929-57-2 $78.20-$457.70$78.20$89.70$101.20$112.70$457.70
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