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414884-19-8 | 1-(2-Bromobenzyl)-4-ethylpiperazine
CAS No: 414884-19-8 Catalog No: AG01EVVG MDL No:
Product Description
Catalog Number:
AG01EVVG
Chemical Name:
1-(2-Bromobenzyl)-4-ethylpiperazine
CAS Number:
414884-19-8
Molecular Formula:
C13H19BrN2
Molecular Weight:
283.2074
IUPAC Name:
1-[(2-bromophenyl)methyl]-4-ethylpiperazine
InChI:
InChI=1S/C13H19BrN2/c1-2-15-7-9-16(10-8-15)11-12-5-3-4-6-13(12)14/h3-6H,2,7-11H2,1H3
InChI Key:
PHMGHASNRFVHIR-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)Cc1ccccc1Br
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.073g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.213g/mol
Monoisotopic Mass:
282.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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