Home Nitriles 2-({[3-(trifluoromethyl)phenyl]methyl}amino)propanenitrile

2-({[3-(trifluoromethyl)phenyl]methyl}amino)propanenitrile

CAS No.:
1251038-13-7
Catalog Number:
AG01C3Z2
Molecular Formula:
C11H11F3N2
Molecular Weight:
228.2136
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Product Description
Catalog Number:
AG01C3Z2
Chemical Name:
2-({[3-(trifluoromethyl)phenyl]methyl}amino)propanenitrile
CAS Number:
1251038-13-7
Molecular Formula:
C11H11F3N2
Molecular Weight:
228.2136
MDL Number:
MFCD16077590
IUPAC Name:
2-[[3-(trifluoromethyl)phenyl]methylamino]propanenitrile
InChI:
InChI=1S/C11H11F3N2/c1-8(6-15)16-7-9-3-2-4-10(5-9)11(12,13)14/h2-5,8,16H,7H2,1H3
InChI Key:
CNEJOEUXIVSYFT-UHFFFAOYSA-N
SMILES:
N#CC(NCc1cccc(c1)C(F)(F)F)C
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.087g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.218g/mol
Monoisotopic Mass:
228.087g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties