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88758-16-1 | Ethanimidamide, N-(2,2-dimethyl-1-oxopropoxy)-2-(8-quinolinyloxy)-
CAS No: 88758-16-1 Catalog No: AG004EB2 MDL No:
Product Description
Catalog Number:
AG004EB2
Chemical Name:
Ethanimidamide, N-(2,2-dimethyl-1-oxopropoxy)-2-(8-quinolinyloxy)-
CAS Number:
88758-16-1
Molecular Formula:
C16H19N3O3
Molecular Weight:
301.3404
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] 2,2-dimethylpropanoate
InChI:
InChI=1S/C16H19N3O3/c1-16(2,3)15(20)22-19-13(17)10-21-12-8-4-6-11-7-5-9-18-14(11)12/h4-9H,10H2,1-3H3,(H2,17,19)
InChI Key:
FBJJCXXRYWJHPJ-UHFFFAOYSA-N
SMILES:
N=C(COc1cccc2c1nccc2)NOC(=O)C(C)(C)C
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.143g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.346g/mol
Monoisotopic Mass:
301.143g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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