Home Nitriles 3,5-Dimethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

3,5-Dimethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

CAS No.:
242474-46-0
Catalog Number:
AG00J29J
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00J29J
Chemical Name:
3,5-Dimethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CAS Number:
242474-46-0
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
MDL Number:
MFCD01651668
IUPAC Name:
3,5-dimethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
InChI:
InChI=1S/C12H14N2/c1-8-4-3-5-10-7-14-9(2)11(6-13)12(8)10/h7-8H,3-5H2,1-2H3
InChI Key:
XUOXBTQUAMVECG-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)ncc2c1C(C)CCC2
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties