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88758-42-3 | Ethanimidamide, N-[(butoxycarbonyl)oxy]-2-(8-quinolinyloxy)-
CAS No: 88758-42-3 Catalog No: AG004C6V MDL No:
Product Description
Catalog Number:
AG004C6V
Chemical Name:
Ethanimidamide, N-[(butoxycarbonyl)oxy]-2-(8-quinolinyloxy)-
CAS Number:
88758-42-3
Molecular Formula:
C16H19N3O4
Molecular Weight:
317.3398
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] butyl carbonate
InChI:
InChI=1S/C16H19N3O4/c1-2-3-10-21-16(20)23-19-14(17)11-22-13-8-4-6-12-7-5-9-18-15(12)13/h4-9H,2-3,10-11H2,1H3,(H2,17,19)
InChI Key:
HZFLLDKTKLZRKK-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)ONC(=N)COc1cccc2c1nccc2
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.138g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.345g/mol
Monoisotopic Mass:
317.138g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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