200,000+ products from a single source!
sales@angenechem.com
295800-70-3 | 9,10-Anthracenedione, 1,4-bis[(2-ethylhexyl)amino]-5,8-dihydroxy-
CAS No: 295800-70-3 Catalog No: AG002YT1 MDL No:
Product Description
Catalog Number:
AG002YT1
Chemical Name:
9,10-Anthracenedione, 1,4-bis[(2-ethylhexyl)amino]-5,8-dihydroxy-
CAS Number:
295800-70-3
Molecular Formula:
C30H42N2O4
Molecular Weight:
494.6655
IUPAC Name:
1,4-bis(2-ethylhexylamino)-5,8-dihydroxyanthracene-9,10-dione
InChI:
InChI=1S/C30H42N2O4/c1-5-9-11-19(7-3)17-31-21-13-14-22(32-18-20(8-4)12-10-6-2)26-25(21)29(35)27-23(33)15-16-24(34)28(27)30(26)36/h13-16,19-20,31-34H,5-12,17-18H2,1-4H3
InChI Key:
HJPZLFBZKDXVOA-UHFFFAOYSA-N
SMILES:
CCCCC(CNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCC(CCCC)CC)CC
EC Number:
807-717-5
Properties
Complexity:
642
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.314g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
494.676g/mol
Monoisotopic Mass:
494.314g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.