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ethyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate

ethyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate

Formula: C18H28N2O3

SMILES: CCOC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2

IUPAC: ethyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate

InChI: InChI=1S/C18H28N2O3/c1-2-23-17(22)20-5-3-19(4-6-20)16(21)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,2-12H2,1H3

Composition: C (67.47%), H (8.81%), N (8.74%), O (14.98%)

Molar Mass: 320.433

Atom Count: 51

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 320.20999277
Formal Charge 0
FSP3 0.89
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey KWXSWBBBXDRYDQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.7
Topological Polar Surface Area 49.85
Polarizability 34.1
Ring Count 4
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H28N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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