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89787-24-6 | Cyclohexanone, 2-[[methyl(4-methylphenyl)amino]methyl]-
CAS No: 89787-24-6 Catalog No: AG003YHD MDL No:
Product Description
Catalog Number:
AG003YHD
Chemical Name:
Cyclohexanone, 2-[[methyl(4-methylphenyl)amino]methyl]-
CAS Number:
89787-24-6
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
IUPAC Name:
2-[(N,4-dimethylanilino)methyl]cyclohexan-1-one
InChI:
InChI=1S/C15H21NO/c1-12-7-9-14(10-8-12)16(2)11-13-5-3-4-6-15(13)17/h7-10,13H,3-6,11H2,1-2H3
InChI Key:
UXVDSYRMEHSXAO-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1CN(c1ccc(cc1)C)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.339g/mol
Monoisotopic Mass:
231.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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