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21678-37-5 | N,N-Dimethylisobutyramide
CAS No: 21678-37-5 Catalog No: AG003SG8 MDL No:MFCD00075378
Product Description
Catalog Number:
AG003SG8
Chemical Name:
N,N-Dimethylisobutyramide
CAS Number:
21678-37-5
Molecular Formula:
C6H13NO
Molecular Weight:
115.1735
MDL Number:
MFCD00075378
IUPAC Name:
N,N,2-trimethylpropanamide
InChI:
InChI=1S/C6H13NO/c1-5(2)6(8)7(3)4/h5H,1-4H3
InChI Key:
GXMIHVHJTLPVKL-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)C(C)C
EC Number:
606-821-6
NSC Number:
53151
Properties
Complexity:
86.5
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:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Structure-activity relationships of a novel class of endothelin receptor selective antagonists; 6-carboxy-2-isopropylamino-5,7-diarylcyclopenteno[1,2-b]pyridines. | Bioorganic & medicinal chemistry letters 20040322 |
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