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199616-96-1 | 1-Piperazineethanamine, 4-(4-bromophenyl)-
CAS No: 199616-96-1 Catalog No: AG002C8X MDL No:
Product Description
Catalog Number:
AG002C8X
Chemical Name:
1-Piperazineethanamine, 4-(4-bromophenyl)-
CAS Number:
199616-96-1
Molecular Formula:
C12H18BrN3
Molecular Weight:
284.1954
IUPAC Name:
2-[4-(4-bromophenyl)piperazin-1-yl]ethanamine
InChI:
InChI=1S/C12H18BrN3/c13-11-1-3-12(4-2-11)16-9-7-15(6-5-14)8-10-16/h1-4H,5-10,14H2
InChI Key:
IVYCDABPAPCTDJ-UHFFFAOYSA-N
SMILES:
NCCN1CCN(CC1)c1ccc(cc1)Br
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.068g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.201g/mol
Monoisotopic Mass:
283.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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