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148716-35-2 | Ethanone, 1-[4-(2-aminoethyl)-1-piperazinyl]-
CAS No: 148716-35-2 Catalog No: AG001L5C MDL No:MFCD08275715
Product Description
Catalog Number:
AG001L5C
Chemical Name:
Ethanone, 1-[4-(2-aminoethyl)-1-piperazinyl]-
CAS Number:
148716-35-2
Molecular Formula:
C8H17N3O
Molecular Weight:
171.2401
MDL Number:
MFCD08275715
IUPAC Name:
1-[4-(2-aminoethyl)piperazin-1-yl]ethanone
InChI:
InChI=1S/C8H17N3O/c1-8(12)11-6-4-10(3-2-9)5-7-11/h2-7,9H2,1H3
InChI Key:
IEXLKUJTTDIYQW-UHFFFAOYSA-N
SMILES:
NCCN1CCN(CC1)C(=O)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.137g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.244g/mol
Monoisotopic Mass:
171.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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