200,000+ products from a single source!
sales@angenechem.com
68881-59-4 | 1-CYANO-2-ETHOXYCARBONYL-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS No: 68881-59-4 Catalog No: AG005NO3 MDL No:
Product Description
Catalog Number:
AG005NO3
Chemical Name:
1-CYANO-2-ETHOXYCARBONYL-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS Number:
68881-59-4
Molecular Formula:
C15H18N2O4
Molecular Weight:
290.3144
IUPAC Name:
ethyl 1-cyano-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
InChI:
InChI=1S/C15H18N2O4/c1-4-21-15(18)17-6-5-10-7-13(19-2)14(20-3)8-11(10)12(17)9-16/h7-8,12H,4-6H2,1-3H3
InChI Key:
WXLXUCMLKPVBAN-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCc2c(C1C#N)cc(c(c2)OC)OC
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.319g/mol
Monoisotopic Mass:
290.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.