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1114-51-8 | N,N-Diethylpropionamide
CAS No: 1114-51-8 Catalog No: AG003SK0 MDL No:MFCD00009302
Product Description
Catalog Number:
AG003SK0
Chemical Name:
N,N-Diethylpropionamide
CAS Number:
1114-51-8
Molecular Formula:
C7H15NO
Molecular Weight:
129.2001
MDL Number:
MFCD00009302
IUPAC Name:
N,N-diethylpropanamide
InChI:
InChI=1S/C7H15NO/c1-4-7(9)8(5-2)6-3/h4-6H2,1-3H3
InChI Key:
YKOQQFDCCBKROY-UHFFFAOYSA-N
SMILES:
CCC(=O)N(CC)CC
UNII:
JFK8231N9S
NSC Number:
105
Properties
Complexity:
86.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.115g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.203g/mol
Monoisotopic Mass:
129.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Gas-phase SN2 reactivity of dicoordinated borinium cations using pentaquadrupole mass spectrometry. | Journal of the American Society for Mass Spectrometry 20010801 |
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