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155126-22-0 | 9H-Xanthene-4,5-diamine, 2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-
CAS No: 155126-22-0 Catalog No: AG001NMW MDL No:
Product Description
Catalog Number:
AG001NMW
Chemical Name:
9H-Xanthene-4,5-diamine, 2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-
CAS Number:
155126-22-0
Molecular Formula:
C23H32N2O
Molecular Weight:
352.5130
IUPAC Name:
2,7-ditert-butyl-9,9-dimethylxanthene-4,5-diamine
InChI:
InChI=1S/C23H32N2O/c1-21(2,3)13-9-15-19(17(24)11-13)26-20-16(23(15,7)8)10-14(12-18(20)25)22(4,5)6/h9-12H,24-25H2,1-8H3
InChI Key:
PYQKTCXFBQQGKA-UHFFFAOYSA-N
SMILES:
Nc1cc(cc2c1Oc1c(N)cc(cc1C2(C)C)C(C)(C)C)C(C)(C)C
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.251g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.522g/mol
Monoisotopic Mass:
352.251g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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