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873056-12-3 | tert-Butyl 7-amino-4,4-dimethyl-3,4-dihydroquinoline-1(2H);-carboxylate
CAS No: 873056-12-3 Catalog No: AG004HXX MDL No:MFCD09743960
Product Description
Catalog Number:
AG004HXX
Chemical Name:
tert-Butyl 7-amino-4,4-dimethyl-3,4-dihydroquinoline-1(2H);-carboxylate
CAS Number:
873056-12-3
Molecular Formula:
C16H24N2O2
Molecular Weight:
276.3740
MDL Number:
MFCD09743960
IUPAC Name:
tert-butyl 7-amino-4,4-dimethyl-2,3-dihydroquinoline-1-carboxylate
InChI:
InChI=1S/C16H24N2O2/c1-15(2,3)20-14(19)18-9-8-16(4,5)12-7-6-11(17)10-13(12)18/h6-7,10H,8-9,17H2,1-5H3
InChI Key:
IJCDSQPIXLEJKO-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)N(CCC2(C)C)C(=O)OC(C)(C)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.184g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.38g/mol
Monoisotopic Mass:
276.184g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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