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140866-77-9 | 1-Hexanol, 6-(9-acridinylamino)-, 1-(4-nitrobenzoate), hydrochloride, hydrate (1:1:1)
CAS No: 140866-77-9 Catalog No: AG001CY4 MDL No:
Product Description
Catalog Number:
AG001CY4
Chemical Name:
1-Hexanol, 6-(9-acridinylamino)-, 1-(4-nitrobenzoate), hydrochloride, hydrate (1:1:1)
CAS Number:
140866-77-9
Molecular Formula:
C26H25N3O4
Molecular Weight:
443.4944
IUPAC Name:
6-(acridin-9-ylamino)hexyl 4-nitrobenzoate
InChI:
InChI=1S/C26H25N3O4/c30-26(19-13-15-20(16-14-19)29(31)32)33-18-8-2-1-7-17-27-25-21-9-3-5-11-23(21)28-24-12-6-4-10-22(24)25/h3-6,9-16H,1-2,7-8,17-18H2,(H,27,28)
InChI Key:
LLRORQYWUGPLIW-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])OCCCCCCNc1c2ccccc2nc2c1cccc2
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.185g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
443.503g/mol
Monoisotopic Mass:
443.185g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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