Home Nitriles 3-Methoxy-4-(pyrrolidin-1-yl)benzonitrile

3-Methoxy-4-(pyrrolidin-1-yl)benzonitrile

CAS No.:
1393442-48-2
Catalog Number:
AG009X7O
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
10g
98%
In Stock USA
United States
$350
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG009X7O
Chemical Name:
3-Methoxy-4-(pyrrolidin-1-yl)benzonitrile
CAS Number:
1393442-48-2
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD22383664
IUPAC Name:
3-methoxy-4-pyrrolidin-1-ylbenzonitrile
InChI:
InChI=1S/C12H14N2O/c1-15-12-8-10(9-13)4-5-11(12)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
InChI Key:
XRKHRCVWQIBKPW-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)ccc1N1CCCC1
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties