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87976-85-0 | 4-Piperidinone, 1-(3-amino-1-oxopropyl)-
CAS No: 87976-85-0 Catalog No: AG004P62 MDL No:MFCD24849154
Product Description
Catalog Number:
AG004P62
Chemical Name:
4-Piperidinone, 1-(3-amino-1-oxopropyl)-
CAS Number:
87976-85-0
Molecular Formula:
C8H14N2O2
Molecular Weight:
170.2090
MDL Number:
MFCD24849154
IUPAC Name:
1-(3-aminopropanoyl)piperidin-4-one
InChI:
InChI=1S/C8H14N2O2/c9-4-1-8(12)10-5-2-7(11)3-6-10/h1-6,9H2
InChI Key:
LBISDWUFPMCWOU-UHFFFAOYSA-N
SMILES:
NCCC(=O)N1CCC(=O)CC1
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.212g/mol
Monoisotopic Mass:
170.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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