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113644-15-8 | Benzenamine, 4-(1,1-dimethylethyl)-2-ethyl-N-(2-ethylphenyl)-
CAS No: 113644-15-8 Catalog No: AG00098I MDL No:
Product Description
Catalog Number:
AG00098I
Chemical Name:
Benzenamine, 4-(1,1-dimethylethyl)-2-ethyl-N-(2-ethylphenyl)-
CAS Number:
113644-15-8
Molecular Formula:
C20H27N
Molecular Weight:
281.4351
IUPAC Name:
4-tert-butyl-2-ethyl-N-(2-ethylphenyl)aniline
InChI:
InChI=1S/C20H27N/c1-6-15-10-8-9-11-18(15)21-19-13-12-17(20(3,4)5)14-16(19)7-2/h8-14,21H,6-7H2,1-5H3
InChI Key:
OWDDMOLXUHLNKQ-UHFFFAOYSA-N
SMILES:
CCc1cc(ccc1Nc1ccccc1CC)C(C)(C)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.214g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.443g/mol
Monoisotopic Mass:
281.214g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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