Home Nitriles 3-[(3,3,3-trifluoropropyl)amino]propanenitrile

3-[(3,3,3-trifluoropropyl)amino]propanenitrile

CAS No.:
1170012-74-4
Catalog Number:
AG019Z2I
Molecular Formula:
C6H9F3N2
Molecular Weight:
166.1443
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Product Description
Catalog Number:
AG019Z2I
Chemical Name:
3-[(3,3,3-trifluoropropyl)amino]propanenitrile
CAS Number:
1170012-74-4
Molecular Formula:
C6H9F3N2
Molecular Weight:
166.1443
MDL Number:
MFCD18262893
IUPAC Name:
3-(3,3,3-trifluoropropylamino)propanenitrile
InChI:
InChI=1S/C6H9F3N2/c7-6(8,9)2-5-11-4-1-3-10/h11H,1-2,4-5H2
InChI Key:
CPCMSNMGEMRMFF-UHFFFAOYSA-N
SMILES:
N#CCCNCCC(F)(F)F
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.072g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.147g/mol
Monoisotopic Mass:
166.072g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties