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1314985-71-1 | 1-Piperazinecarboxylic acid, 4-(4-amino-2-bromophenyl)-, 1,1-dimethylethyl ester
CAS No: 1314985-71-1 Catalog No: AG000WC3 MDL No:MFCD19684092
Product Description
Catalog Number:
AG000WC3
Chemical Name:
1-Piperazinecarboxylic acid, 4-(4-amino-2-bromophenyl)-, 1,1-dimethylethyl ester
CAS Number:
1314985-71-1
Molecular Formula:
C15H22BrN3O2
Molecular Weight:
356.2581
MDL Number:
MFCD19684092
IUPAC Name:
tert-butyl 4-(4-amino-2-bromophenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C15H22BrN3O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)13-5-4-11(17)10-12(13)16/h4-5,10H,6-9,17H2,1-3H3
InChI Key:
UEPRIGMZKJEVEY-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)Br)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.264g/mol
Monoisotopic Mass:
355.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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