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tert-butyl 4-[(4-tert-butylphenyl)amino]piperidine-1-carboxylate

tert-butyl 4-[(4-tert-butylphenyl)amino]piperidine-1-carboxylate

CAS: 885949-49-5

Formula: C20H32N2O2

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)NC1=CC=C(C=C1)C(C)(C)C

IUPAC: tert-butyl 4-[(4-tert-butylphenyl)amino]piperidine-1-carboxylate

InChI: InChI=1S/C20H32N2O2/c1-19(2,3)15-7-9-16(10-8-15)21-17-11-13-22(14-12-17)18(23)24-20(4,5)6/h7-10,17,21H,11-14H2,1-6H3

Composition: C (72.25%), H (9.70%), N (8.43%), O (9.62%)

Molar Mass: 332.488

Atom Count: 56

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 332.246378278
Formal Charge 0
FSP3 0.65
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RNVSJDANLAJUQF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.07
Topological Polar Surface Area 41.57
Polarizability 38.34
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 885949-49-5 $51.35-$539.70$51.35$63.37$86.31$113.62$180.26$539.70
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