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309263-17-0 | Imidodicarbonic acid, 2-(7-amino-1-isoquinolinyl)-, 1,3-bis(1,1-dimethylethyl) ester
CAS No: 309263-17-0 Catalog No: AG0031OH MDL No:
Product Description
Catalog Number:
AG0031OH
Chemical Name:
Imidodicarbonic acid, 2-(7-amino-1-isoquinolinyl)-, 1,3-bis(1,1-dimethylethyl) ester
CAS Number:
309263-17-0
Molecular Formula:
C19H25N3O4
Molecular Weight:
359.4195
IUPAC Name:
tert-butyl N-(7-aminoisoquinolin-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
InChI:
InChI=1S/C19H25N3O4/c1-18(2,3)25-16(23)22(17(24)26-19(4,5)6)15-14-11-13(20)8-7-12(14)9-10-21-15/h7-11H,20H2,1-6H3
InChI Key:
UARIFPIOJLDFBU-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)c(ncc2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.185g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.426g/mol
Monoisotopic Mass:
359.185g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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