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288251-85-4 | 1-Piperazinecarboxylic acid, 4-(4-amino-2-cyanophenyl)-, 1,1-dimethylethyl ester
CAS No: 288251-85-4 Catalog No: AG002WNW MDL No:MFCD23135819
Product Description
Catalog Number:
AG002WNW
Chemical Name:
1-Piperazinecarboxylic acid, 4-(4-amino-2-cyanophenyl)-, 1,1-dimethylethyl ester
CAS Number:
288251-85-4
Molecular Formula:
C16H22N4O2
Molecular Weight:
302.3715
MDL Number:
MFCD23135819
IUPAC Name:
tert-butyl 4-(4-amino-2-cyanophenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)20-8-6-19(7-9-20)14-5-4-13(18)10-12(14)11-17/h4-5,10H,6-9,18H2,1-3H3
InChI Key:
MATLRBKMCBPXPB-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)ccc1N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.174g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.378g/mol
Monoisotopic Mass:
302.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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