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tert-butyl 4-(2-aminophenyl)piperazine-1-carboxylate

tert-butyl 4-(2-aminophenyl)piperazine-1-carboxylate

CAS: 170017-74-0

Formula: C15H23N3O2

SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C1=CC=CC=C1N

IUPAC: tert-butyl 4-(2-aminophenyl)piperazine-1-carboxylate

InChI: InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-7-5-4-6-12(13)16/h4-7H,8-11,16H2,1-3H3

Composition: C (64.96%), H (8.36%), N (15.15%), O (11.54%)

Molar Mass: 277.368

Atom Count: 43

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 277.179026993
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LNDQGWAWYKFYAO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.94
Topological Polar Surface Area 58.8
Polarizability 30.36
Ring Count 2
Rotatable Bond Count 3

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