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88675-39-2 | Ethanone, 2-[bis(1-methylethyl)amino]-1-(4-butoxyphenyl)-
CAS No: 88675-39-2 Catalog No: AG0048CK MDL No:
Product Description
Catalog Number:
AG0048CK
Chemical Name:
Ethanone, 2-[bis(1-methylethyl)amino]-1-(4-butoxyphenyl)-
CAS Number:
88675-39-2
Molecular Formula:
C18H29NO2
Molecular Weight:
291.4284
IUPAC Name:
1-(4-butoxyphenyl)-2-[di(propan-2-yl)amino]ethanone
InChI:
InChI=1S/C18H29NO2/c1-6-7-12-21-17-10-8-16(9-11-17)18(20)13-19(14(2)3)15(4)5/h8-11,14-15H,6-7,12-13H2,1-5H3
InChI Key:
AEMZZFWUYBVAAH-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C(=O)CN(C(C)C)C(C)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.22g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.435g/mol
Monoisotopic Mass:
291.22g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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