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1368724-25-7 | 1(2H)-Quinolinecarboxylic acid, 8-amino-3,4-dihydro-, 1,1-dimethylethyl ester
CAS No: 1368724-25-7 Catalog No: AG0012HX MDL No:
Product Description
Catalog Number:
AG0012HX
Chemical Name:
1(2H)-Quinolinecarboxylic acid, 8-amino-3,4-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1368724-25-7
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
IUPAC Name:
tert-butyl 8-amino-3,4-dihydro-2H-quinoline-1-carboxylate
InChI:
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-9-5-7-10-6-4-8-11(15)12(10)16/h4,6,8H,5,7,9,15H2,1-3H3
InChI Key:
SDWRAFNQOMZZQS-UHFFFAOYSA-N
SMILES:
O=C(N1CCCc2c1c(N)ccc2)OC(C)(C)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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