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117009-82-2 | Methanone, [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl](hexahydro-1H-1,4-diazepin-1-yl)-
CAS No: 117009-82-2 Catalog No: AG000DJW MDL No:
Product Description
Catalog Number:
AG000DJW
Chemical Name:
Methanone, [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl](hexahydro-1H-1,4-diazepin-1-yl)-
CAS Number:
117009-82-2
Molecular Formula:
C20H32N2O2
Molecular Weight:
332.4803
IUPAC Name:
1,4-diazepan-1-yl-(3,5-ditert-butyl-4-hydroxyphenyl)methanone
InChI:
InChI=1S/C20H32N2O2/c1-19(2,3)15-12-14(13-16(17(15)23)20(4,5)6)18(24)22-10-7-8-21-9-11-22/h12-13,21,23H,7-11H2,1-6H3
InChI Key:
LYRRSBJFMOFHBF-UHFFFAOYSA-N
SMILES:
O=C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)N1CCNCCC1
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.246g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.488g/mol
Monoisotopic Mass:
332.246g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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