200,000+ products from a single source!
sales@angenechem.com
1245940-52-6 | Carbamic acid, N-[2-amino-1-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl]-, 1,1-dimethylethyl ester
CAS No: 1245940-52-6 Catalog No: AG000MFN MDL No:
Product Description
Catalog Number:
AG000MFN
Chemical Name:
Carbamic acid, N-[2-amino-1-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl]-, 1,1-dimethylethyl ester
CAS Number:
1245940-52-6
Molecular Formula:
C15H19F3N2O3
Molecular Weight:
332.3182
IUPAC Name:
tert-butyl N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate
InChI:
InChI=1S/C15H19F3N2O3/c1-13(2,3)23-12(22)20-14(4,11(19)21)9-6-5-7-10(8-9)15(16,17)18/h5-8H,1-4H3,(H2,19,21)(H,20,22)
InChI Key:
JKDFLYSZMBPDPB-UHFFFAOYSA-N
SMILES:
O=C(NC(c1cccc(c1)C(F)(F)F)(C(=O)N)C)OC(C)(C)C
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.135g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.323g/mol
Monoisotopic Mass:
332.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.