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116273-54-2 | 1,8-Octanediamine, N1-9-acridinyl-N8-(6-azido-2-methoxy-9-acridinyl)-
CAS No: 116273-54-2 Catalog No: AG000C3G MDL No:
Product Description
Catalog Number:
AG000C3G
Chemical Name:
1,8-Octanediamine, N1-9-acridinyl-N8-(6-azido-2-methoxy-9-acridinyl)-
CAS Number:
116273-54-2
Molecular Formula:
C35H35N7O
Molecular Weight:
569.6987
IUPAC Name:
N-acridin-9-yl-N'-(6-azido-2-methoxyacridin-9-yl)octane-1,8-diamine
InChI:
InChI=1S/C35H35N7O/c1-43-25-17-19-32-29(23-25)35(28-18-16-24(41-42-36)22-33(28)40-32)38-21-11-5-3-2-4-10-20-37-34-26-12-6-8-14-30(26)39-31-15-9-7-13-27(31)34/h6-9,12-19,22-23H,2-5,10-11,20-21H2,1H3,(H,37,39)(H,38,40)
InChI Key:
RVMSVFZQNRNRLO-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2NCCCCCCCCNc2c3ccccc3nc3c2cccc3)cc(cc1)OC
Properties
Complexity:
875
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
569.29g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
569.713g/mol
Monoisotopic Mass:
569.29g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.2
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