Home Nitriles 3-[(Diethylamino)methyl]benzonitrile

3-[(Diethylamino)methyl]benzonitrile

CAS No.:
1016701-33-9
Catalog Number:
AG00H9J5
Molecular Formula:
C12H16N2
Molecular Weight:
188.2688
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG00H9J5
Chemical Name:
3-[(Diethylamino)methyl]benzonitrile
CAS Number:
1016701-33-9
Molecular Formula:
C12H16N2
Molecular Weight:
188.2688
MDL Number:
MFCD09931537
IUPAC Name:
3-(diethylaminomethyl)benzonitrile
InChI:
InChI=1S/C12H16N2/c1-3-14(4-2)10-12-7-5-6-11(8-12)9-13/h5-8H,3-4,10H2,1-2H3
InChI Key:
BMKWUYAFNARSIL-UHFFFAOYSA-N
SMILES:
CCN(Cc1cccc(c1)C#N)CC
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.131g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.274g/mol
Monoisotopic Mass:
188.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties