200,000+ products from a single source!
sales@angenechem.com
139263-56-2 | Acridinium, 3,6-diamino-10-[6-[(4-nitrobenzoyl)oxy]hexyl]-, chloride (1:1)
CAS No: 139263-56-2 Catalog No: AG001ALB MDL No:
Product Description
Catalog Number:
AG001ALB
Chemical Name:
Acridinium, 3,6-diamino-10-[6-[(4-nitrobenzoyl)oxy]hexyl]-, chloride (1:1)
CAS Number:
139263-56-2
Molecular Formula:
C26H27ClN4O4
Molecular Weight:
494.9700
IUPAC Name:
6-(3,6-diaminoacridin-10-ium-10-yl)hexyl 4-nitrobenzoate
InChI:
InChI=1S/C26H26N4O4/c27-21-9-5-19-15-20-6-10-22(28)17-25(20)29(24(19)16-21)13-3-1-2-4-14-34-26(31)18-7-11-23(12-8-18)30(32)33/h5-12,15-17H,1-4,13-14H2,(H3,27,28)/p+1
InChI Key:
ISRMGDMMDXSGNH-UHFFFAOYSA-O
SMILES:
Nc1ccc2c(c1)[n+](CCCCCCOC(=O)c1ccc(cc1)[N+](=O)[O-])c1c(c2)ccc(c1)N.[Cl-]
Properties
Complexity:
652
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.203g/mol
Formal Charge:
1
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
459.526g/mol
Monoisotopic Mass:
459.203g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.