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139501-99-8 | Phenol, 4-(9-acridinylamino)-2,6-dimethoxy-
CAS No: 139501-99-8 Catalog No: AG001B5F MDL No:
Product Description
Catalog Number:
AG001B5F
Chemical Name:
Phenol, 4-(9-acridinylamino)-2,6-dimethoxy-
CAS Number:
139501-99-8
Molecular Formula:
C21H18N2O3
Molecular Weight:
346.3792
IUPAC Name:
4-(acridin-9-ylamino)-2,6-dimethoxyphenol
InChI:
InChI=1S/C21H18N2O3/c1-25-18-11-13(12-19(26-2)21(18)24)22-20-14-7-3-5-9-16(14)23-17-10-6-4-8-15(17)20/h3-12,24H,1-2H3,(H,22,23)
InChI Key:
XIQNHMFRBYWPRV-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1O)OC)Nc1c2ccccc2nc2c1cccc2
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.132g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.386g/mol
Monoisotopic Mass:
346.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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