Home Nitriles 3-[(2,2,2-trifluoroethyl)amino]propanenitrile hydrochloride

3-[(2,2,2-trifluoroethyl)amino]propanenitrile hydrochloride

CAS No.:
1303889-66-8
Catalog Number:
AG01ABIM
Molecular Formula:
C5H8ClF3N2
Molecular Weight:
188.5786
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Product Description
Catalog Number:
AG01ABIM
Chemical Name:
3-[(2,2,2-trifluoroethyl)amino]propanenitrile hydrochloride
CAS Number:
1303889-66-8
Molecular Formula:
C5H8ClF3N2
Molecular Weight:
188.5786
MDL Number:
MFCD18089413
IUPAC Name:
3-(2,2,2-trifluoroethylamino)propanenitrile;hydrochloride
InChI:
InChI=1S/C5H7F3N2.ClH/c6-5(7,8)4-10-3-1-2-9;/h10H,1,3-4H2;1H
InChI Key:
BVIDZFYVKRFZSD-UHFFFAOYSA-N
SMILES:
N#CCCNCC(F)(F)F.Cl
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.033g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
188.578g/mol
Monoisotopic Mass:
188.033g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties