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1267008-06-9 | 3-Pyridinecarbonitrile, 1-[2-(dimethylamino)ethyl]-1,2-dihydro-4,6-dimethyl-2-oxo-
CAS No: 1267008-06-9 Catalog No: AG000T46 MDL No:MFCD19318165
Product Description
Catalog Number:
AG000T46
Chemical Name:
3-Pyridinecarbonitrile, 1-[2-(dimethylamino)ethyl]-1,2-dihydro-4,6-dimethyl-2-oxo-
CAS Number:
1267008-06-9
Molecular Formula:
C12H17N3O
Molecular Weight:
219.2829
MDL Number:
MFCD19318165
IUPAC Name:
1-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
InChI:
InChI=1S/C12H17N3O/c1-9-7-10(2)15(6-5-14(3)4)12(16)11(9)8-13/h7H,5-6H2,1-4H3
InChI Key:
RCQMFGPGGFEDCE-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(n(c1=O)CCN(C)C)C
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.288g/mol
Monoisotopic Mass:
219.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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