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Home Aminos 4-amino-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-2-one hydrochloride

4-amino-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-2-one hydrochloride

CAS No.:
1803607-40-0
Catalog Number:
AG01ACMS
Molecular Formula:
C12H14ClF3N2O
Molecular Weight:
294.7006
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Product Description
Catalog Number:
AG01ACMS
Chemical Name:
4-amino-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-2-one hydrochloride
CAS Number:
1803607-40-0
Molecular Formula:
C12H14ClF3N2O
Molecular Weight:
294.7006
MDL Number:
MFCD26408040
IUPAC Name:
4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;hydrochloride
InChI:
InChI=1S/C12H13F3N2O.ClH/c13-12(14,15)10-4-2-1-3-8(10)6-17-7-9(16)5-11(17)18;/h1-4,9H,5-7,16H2;1H
InChI Key:
GNZTXLYNHSJWMP-UHFFFAOYSA-N
SMILES:
NC1CC(=O)N(C1)Cc1ccccc1C(F)(F)F.Cl
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.075g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
294.702g/mol
Monoisotopic Mass:
294.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties