Home Nitriles 2-{4-[(dimethylamino)methyl]phenyl}benzonitrile

2-{4-[(dimethylamino)methyl]phenyl}benzonitrile

CAS No.:
1000930-96-0
Catalog Number:
AG019KX3
Molecular Formula:
C16H16N2
Molecular Weight:
236.3116
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Product Description
Catalog Number:
AG019KX3
Chemical Name:
2-{4-[(dimethylamino)methyl]phenyl}benzonitrile
CAS Number:
1000930-96-0
Molecular Formula:
C16H16N2
Molecular Weight:
236.3116
MDL Number:
MFCD09802084
IUPAC Name:
2-[4-[(dimethylamino)methyl]phenyl]benzonitrile
InChI:
InChI=1S/C16H16N2/c1-18(2)12-13-7-9-14(10-8-13)16-6-4-3-5-15(16)11-17/h3-10H,12H2,1-2H3
InChI Key:
IVTBYGAHXYCWQD-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1c1ccc(cc1)CN(C)C
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.131g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.318g/mol
Monoisotopic Mass:
236.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties