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1354003-80-7 | N-[(S)-1-(2-Amino-ethyl)-piperidin-3-yl]-acetamide
CAS No: 1354003-80-7 Catalog No: AG01F90W MDL No:
Product Description
Catalog Number:
AG01F90W
Chemical Name:
N-[(S)-1-(2-Amino-ethyl)-piperidin-3-yl]-acetamide
CAS Number:
1354003-80-7
Molecular Formula:
C9H19N3O
Molecular Weight:
185.2667
IUPAC Name:
N-[(3S)-1-(2-aminoethyl)piperidin-3-yl]acetamide
InChI:
InChI=1S/C9H19N3O/c1-8(13)11-9-3-2-5-12(7-9)6-4-10/h9H,2-7,10H2,1H3,(H,11,13)/t9-/m0/s1
InChI Key:
YYCCNUIYJJPHND-VIFPVBQESA-N
SMILES:
NCCN1CCC[C@@H](C1)NC(=O)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
185.153g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.271g/mol
Monoisotopic Mass:
185.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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