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89061-04-1 | Diazene, bis[2-methyl-1-(phenylmethyl)propyl]-, 1,2-dioxide
CAS No: 89061-04-1 Catalog No: AG00412E MDL No:
Product Description
Catalog Number:
AG00412E
Chemical Name:
Diazene, bis[2-methyl-1-(phenylmethyl)propyl]-, 1,2-dioxide
CAS Number:
89061-04-1
Molecular Formula:
C22H30N2O2
Molecular Weight:
354.4858
IUPAC Name:
(3-methyl-1-phenylbutan-2-yl)-[(3-methyl-1-phenylbutan-2-yl)-oxidoamino]-oxoazanium
InChI:
InChI=1S/C22H30N2O2/c1-17(2)21(15-19-11-7-5-8-12-19)23(25)24(26)22(18(3)4)16-20-13-9-6-10-14-20/h5-14,17-18,21-22H,15-16H2,1-4H3
InChI Key:
HWZRMZAVDHVHNU-UHFFFAOYSA-N
SMILES:
CC(C([N+](=[N+](C(C(C)C)Cc1ccccc1)[O-])[O-])Cc1ccccc1)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.231g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.494g/mol
Monoisotopic Mass:
354.231g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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