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1053659-98-5 | Ethyl (3-cyano-4,6-dimethylpyridin-2-ylamino) acetate
CAS No: 1053659-98-5 Catalog No: AG01F85E MDL No:
Product Description
Catalog Number:
AG01F85E
Chemical Name:
Ethyl (3-cyano-4,6-dimethylpyridin-2-ylamino) acetate
CAS Number:
1053659-98-5
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
IUPAC Name:
ethyl 2-[(3-cyano-4,6-dimethylpyridin-2-yl)amino]acetate
InChI:
InChI=1S/C12H15N3O2/c1-4-17-11(16)7-14-12-10(6-13)8(2)5-9(3)15-12/h5H,4,7H2,1-3H3,(H,14,15)
InChI Key:
MTMXTABURXWLLJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CNc1nc(C)cc(c1C#N)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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