Home Amines 338392-22-6
338392-22-6,MFCD00974997
Catalog No.:AA00IQXV
338392-22-6 | (4E)-4-[(dimethylamino)methylidene]-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
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Technical Information
Catalog Number:
AA00IQXV
Chemical Name:
(4E)-4-[(dimethylamino)methylidene]-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
CAS Number:
338392-22-6
Molecular Formula:
C10H13N3O
Molecular Weight:
191.2297
MDL Number:
MFCD00974997
IUPAC Name:
4-(dimethylaminomethylidene)-2-methyl-6-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C10H13N3O/c1-7-9(5-11)8(6-13(2)3)4-10(14)12-7/h6H,4H2,1-3H3,(H,12,14)
InChI Key:
VGMAHLUSSXQIOO-UHFFFAOYSA-N
SMILES:
N#CC1=C(C)NC(=O)C/C/1=C\N(C)C
Properties
Computed Properties
 
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.106g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.234g/mol
Monoisotopic Mass:
191.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
-0.4  

Synonyms
 
338392-22-6 
4-[(dimethylamino)methylene]-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile 
AC1LSMTS 
Oprea1_356806 
(4E)-4-[(dimethylamino)methylidene]-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile 
KS-00001TQ9 
4-(dimethylaminomethylidene)-2-methyl-6-oxo-1H-pyridine-3-carbonitrile 
AKOS030244056 
MCULE-8433550565 
CID1490641 
Literature
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