200,000+ products from a single source!
sales@angenechem.com
7634-86-8 | (5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile
CAS No: 7634-86-8 Catalog No: AG005QD7 MDL No:
Product Description
Catalog Number:
AG005QD7
Chemical Name:
(5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile
CAS Number:
7634-86-8
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
2-(5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile
InChI:
InChI=1S/C13H16N2O2/c1-16-12-4-3-9-10(13(12)17-2)6-8-15-11(9)5-7-14/h3-4,11,15H,5-6,8H2,1-2H3
InChI Key:
KSAYFZYVVFNGIK-UHFFFAOYSA-N
SMILES:
N#CCC1NCCc2c1ccc(c2OC)OC
NSC Number:
150985
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.