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132797-08-1 | 2,2,3,3-Piperidinetetracarbonitrile, 1-(dimethylamino)-4-methyl-6-oxo-
CAS No: 132797-08-1 Catalog No: AG001176 MDL No:
Product Description
Catalog Number:
AG001176
Chemical Name:
2,2,3,3-Piperidinetetracarbonitrile, 1-(dimethylamino)-4-methyl-6-oxo-
CAS Number:
132797-08-1
Molecular Formula:
C12H12N6O
Molecular Weight:
256.2633
IUPAC Name:
1-(dimethylamino)-4-methyl-6-oxopiperidine-2,2,3,3-tetracarbonitrile
InChI:
InChI=1S/C12H12N6O/c1-9-4-10(19)18(17(2)3)12(7-15,8-16)11(9,5-13)6-14/h9H,4H2,1-3H3
InChI Key:
YCKSWHYIGGXBDZ-UHFFFAOYSA-N
SMILES:
N#CC1(C#N)N(N(C)C)C(=O)CC(C1(C#N)C#N)C
NSC Number:
681850
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.107g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.269g/mol
Monoisotopic Mass:
256.107g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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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