3-((dimethylamino)methyl)-5-methylhexan-2-one


Chemical Name: 3-((dimethylamino)methyl)-5-methylhexan-2-one
CAS Number: 91342-74-4
Product Number: AG0039XH(AGN-PC-0WA75J)
Synonyms:
MDL No:
Molecular Formula: C10H21NO
Molecular Weight: 171.2798

Identification/Properties


Computed Properties
Molecular Weight:
171.284g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
171.162g/mol
Monoisotopic Mass:
171.162g/mol
Topological Polar Surface Area:
20.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
141
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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