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26391-06-0

26391-06-0 | Acetamide, 2-cyano-N,N-diethyl-

CAS No: 26391-06-0 Catalog No: AG002T0P MDL No:MFCD01332383

Product Description

Catalog Number:
AG002T0P
Chemical Name:
Acetamide, 2-cyano-N,N-diethyl-
CAS Number:
26391-06-0
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
MDL Number:
MFCD01332383
IUPAC Name:
2-cyano-N,N-diethylacetamide
InChI:
InChI=1S/C7H12N2O/c1-3-9(4-2)7(10)5-6-8/h3-5H2,1-2H3
InChI Key:
RYSHIRFTLKZVIH-UHFFFAOYSA-N
SMILES:
CCN(C(=O)CC#N)CC

Properties

Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.095g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.186g/mol
Monoisotopic Mass:
140.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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