200,000+ products from a single source!
sales@angenechem.com
52244-06-1 | (6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolin-1-yl)-acetonitrile
CAS No: 52244-06-1 Catalog No: AG006VHD MDL No:MFCD00800509
Product Description
Catalog Number:
AG006VHD
Chemical Name:
(6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolin-1-yl)-acetonitrile
CAS Number:
52244-06-1
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
MDL Number:
MFCD00800509
IUPAC Name:
2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile
InChI:
InChI=1S/C13H16N2O2/c1-16-12-7-9-4-6-15-11(3-5-14)10(9)8-13(12)17-2/h7-8,11,15H,3-4,6H2,1-2H3
InChI Key:
UVGYAOQHGGLHHV-UHFFFAOYSA-N
SMILES:
N#CCC1NCCc2c1cc(OC)c(c2)OC
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.