tert-butyl 4-(4-amino-2-cyanophenyl)piperazine-1-carboxylate


Chemical Name: tert-butyl 4-(4-amino-2-cyanophenyl)piperazine-1-carboxylate
CAS Number: 288251-85-4
Product Number: AG002WNW(AGN-PC-03MFRY)
Synonyms:
MDL No:
Molecular Formula: C16H22N4O2
Molecular Weight: 302.3715

Identification/Properties


Computed Properties
Molecular Weight:
302.378g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
302.174g/mol
Monoisotopic Mass:
302.174g/mol
Topological Polar Surface Area:
82.6A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
443
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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