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1245915-28-9 | 1,7-Naphthyridine-7(6H)-carboxylic acid, 5-amino-5,8-dihydro-, 1,1-dimethylethyl ester
CAS No: 1245915-28-9 Catalog No: AG000MFW MDL No:
Product Description
Catalog Number:
AG000MFW
Chemical Name:
1,7-Naphthyridine-7(6H)-carboxylic acid, 5-amino-5,8-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1245915-28-9
Molecular Formula:
C13H19N3O2
Molecular Weight:
249.3089
IUPAC Name:
tert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
InChI:
InChI=1S/C13H19N3O2/c1-13(2,3)18-12(17)16-7-10(14)9-5-4-6-15-11(9)8-16/h4-6,10H,7-8,14H2,1-3H3
InChI Key:
HWFQJVDKHIDJJT-UHFFFAOYSA-N
SMILES:
O=C(N1CC(N)c2c(C1)nccc2)OC(C)(C)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.148g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.314g/mol
Monoisotopic Mass:
249.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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