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tert-butyl (2,2,3,3,5,5,6,6-²H?)piperazine-1-carboxylate

tert-butyl (2,2,3,3,5,5,6,6-²H?)piperazine-1-carboxylate

CAS: 1126621-86-0

Formula: C9H18N2O2

SMILES: [2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(C(=O)OC(C)(C)C)C1([2H])[2H]

IUPAC: tert-butyl (2,2,3,3,5,5,6,6-²H?)piperazine-1-carboxylate

InChI: InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3/i4D2,5D2,6D2,7D2

Composition: C (55.63%), H (5.19%), [2H] (8.29%), N (14.42%), O (16.47%)

Molar Mass: 194.304

Atom Count: 31

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 194.187041795
Formal Charge 0
FSP3 0.89
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey CWXPZXBSDSIRCS-DUSUNJSHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.44
Topological Polar Surface Area 41.57
Polarizability 20.02
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1126621-86-0 $312.73-$1,310.18$312.73$501.88$868.83$1,310.18
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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1126621-86-0 $122.40-$440.64$122.40$247.86$440.64
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