Home Nitriles 3-[4-(1-aminoethyl)phenyl]benzonitrile

3-[4-(1-aminoethyl)phenyl]benzonitrile

CAS No.:
518307-29-4
Catalog Number:
AG01A67X
Molecular Formula:
C15H14N2
Molecular Weight:
222.2851
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Product Description
Catalog Number:
AG01A67X
Chemical Name:
3-[4-(1-aminoethyl)phenyl]benzonitrile
CAS Number:
518307-29-4
Molecular Formula:
C15H14N2
Molecular Weight:
222.2851
MDL Number:
MFCD12860347
IUPAC Name:
3-[4-(1-aminoethyl)phenyl]benzonitrile
InChI:
InChI=1S/C15H14N2/c1-11(17)13-5-7-14(8-6-13)15-4-2-3-12(9-15)10-16/h2-9,11H,17H2,1H3
InChI Key:
SNMYOGXKPMUXLW-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1ccc(cc1)C(N)C
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.116g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.291g/mol
Monoisotopic Mass:
222.116g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties