Home Nitriles (6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile

(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile

CAS No.:
52244-06-1
Catalog Number:
AG006VHD
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
In Stock USA
United States
$103
- +
500mg
In Stock USA
United States
$172
- +
1g
In Stock USA
United States
$297
- +
2.5g
In Stock USA
United States
$610
- +
5g
In Stock USA
United States
$1061
- +
10g
In Stock USA
United States
$1873
- +
Product Description
Catalog Number:
AG006VHD
Chemical Name:
(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-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  
Properties