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114021-47-5 | Benzenamine, N-[[(1,1-dimethylethyl)dioxy]methyl]-N-phenyl-
CAS No: 114021-47-5 Catalog No: AG000AC2 MDL No:
Product Description
Catalog Number:
AG000AC2
Chemical Name:
Benzenamine, N-[[(1,1-dimethylethyl)dioxy]methyl]-N-phenyl-
CAS Number:
114021-47-5
Molecular Formula:
C17H21NO2
Molecular Weight:
271.3541
IUPAC Name:
N-(tert-butylperoxymethyl)-N-phenylaniline
InChI:
InChI=1S/C17H21NO2/c1-17(2,3)20-19-14-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChI Key:
GNOKELAHNVGEGB-UHFFFAOYSA-N
SMILES:
CC(OOCN(c1ccccc1)c1ccccc1)(C)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.157g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.36g/mol
Monoisotopic Mass:
271.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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