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685-91-6

685-91-6 | N,N-Diethylacetamide

CAS No: 685-91-6 Catalog No: AG003SOO MDL No:MFCD00009047

Product Description

Catalog Number:
AG003SOO
Chemical Name:
N,N-Diethylacetamide
CAS Number:
685-91-6
Molecular Formula:
C6H13NO
Molecular Weight:
115.1735
MDL Number:
MFCD00009047
IUPAC Name:
N,N-diethylacetamide
InChI:
InChI=1S/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3
InChI Key:
AJFDBNQQDYLMJN-UHFFFAOYSA-N
SMILES:
CCN(C(=O)C)CC
EC Number:
211-685-2
UNII:
6YO81D7ST6
NSC Number:
101

Properties

Complexity:
76.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.1g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
115.176g/mol
Monoisotopic Mass:
115.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

Literature

Title Journal
Molecular interpretation for the solvation of poly(acrylamide)s. I. Solvent-dependent changes in the C=O stretching band region of poly(N,N-dialkylacrylamide)s. The journal of physical chemistry. B 20051110

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