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1268521-17-0 | Ethanone, 1-[4-[(1S)-1-aminoethyl]-1-piperidinyl]-
CAS No: 1268521-17-0 Catalog No: AG000TCB MDL No:
Product Description
Catalog Number:
AG000TCB
Chemical Name:
Ethanone, 1-[4-[(1S)-1-aminoethyl]-1-piperidinyl]-
CAS Number:
1268521-17-0
Molecular Formula:
C9H18N2O
Molecular Weight:
170.2520
IUPAC Name:
1-[4-[(1S)-1-aminoethyl]piperidin-1-yl]ethanone
InChI:
InChI=1S/C9H18N2O/c1-7(10)9-3-5-11(6-4-9)8(2)12/h7,9H,3-6,10H2,1-2H3/t7-/m0/s1
InChI Key:
PEZZPKJFKHGXOA-ZETCQYMHSA-N
SMILES:
C[C@@H](C1CCN(CC1)C(=O)C)N
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
170.142g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.256g/mol
Monoisotopic Mass:
170.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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