Home Nitriles 4-[(propylamino)methyl]benzonitrile

4-[(propylamino)methyl]benzonitrile

CAS No.:
807343-05-1
Catalog Number:
AG019LQ2
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
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Product Description
Catalog Number:
AG019LQ2
Chemical Name:
4-[(propylamino)methyl]benzonitrile
CAS Number:
807343-05-1
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
MDL Number:
MFCD09946920
IUPAC Name:
4-(propylaminomethyl)benzonitrile
InChI:
InChI=1S/C11H14N2/c1-2-7-13-9-11-5-3-10(8-12)4-6-11/h3-6,13H,2,7,9H2,1H3
InChI Key:
WVMJPCSZNOQIAJ-UHFFFAOYSA-N
SMILES:
CCCNCc1ccc(cc1)C#N
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.116g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties