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123469-39-6 | Methanone, [4-(2-aminoethyl)-1-piperazinyl]phenyl-
CAS No: 123469-39-6 Catalog No: AG000KO6 MDL No:
Product Description
Catalog Number:
AG000KO6
Chemical Name:
Methanone, [4-(2-aminoethyl)-1-piperazinyl]phenyl-
CAS Number:
123469-39-6
Molecular Formula:
C13H19N3O
Molecular Weight:
233.3095
IUPAC Name:
[4-(2-aminoethyl)piperazin-1-yl]-phenylmethanone
InChI:
InChI=1S/C13H19N3O/c14-6-7-15-8-10-16(11-9-15)13(17)12-4-2-1-3-5-12/h1-5H,6-11,14H2
InChI Key:
ZYCRXUALSHZBFA-UHFFFAOYSA-N
SMILES:
NCCN1CCN(CC1)C(=O)c1ccccc1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.153g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.315g/mol
Monoisotopic Mass:
233.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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