Home Aminos 4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enoic acid hydrochloride

4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enoic acid hydrochloride

CAS No.:
1807938-93-7
Catalog Number:
AG01AM26
Molecular Formula:
C7H11ClF3NO2
Molecular Weight:
233.6159
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Product Description
Catalog Number:
AG01AM26
Chemical Name:
4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enoic acid hydrochloride
CAS Number:
1807938-93-7
Molecular Formula:
C7H11ClF3NO2
Molecular Weight:
233.6159
MDL Number:
MFCD28968338
IUPAC Name:
4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enoic acid;hydrochloride
InChI:
InChI=1S/C7H10F3NO2.ClH/c1-11(5-7(8,9)10)4-2-3-6(12)13;/h2-3H,4-5H2,1H3,(H,12,13);1H
InChI Key:
OXYXWBXVAXXBPS-UHFFFAOYSA-N
SMILES:
CN(CC(F)(F)F)CC=CC(=O)O.Cl
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.043g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.615g/mol
Monoisotopic Mass:
233.043g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
Properties