200,000+ products from a single source!
sales@angenechem.com
138369-58-1 | 2,4,6-Heptanetrione, 3,5-bis[[4-(diethylamino)phenyl]methylene]-
CAS No: 138369-58-1 Catalog No: AG0018N9 MDL No:
Product Description
Catalog Number:
AG0018N9
Chemical Name:
2,4,6-Heptanetrione, 3,5-bis[[4-(diethylamino)phenyl]methylene]-
CAS Number:
138369-58-1
Molecular Formula:
C29H36N2O3
Molecular Weight:
460.6077
IUPAC Name:
3,5-bis[[4-(diethylamino)phenyl]methylidene]heptane-2,4,6-trione
InChI:
InChI=1S/C29H36N2O3/c1-7-30(8-2)25-15-11-23(12-16-25)19-27(21(5)32)29(34)28(22(6)33)20-24-13-17-26(18-14-24)31(9-3)10-4/h11-20H,7-10H2,1-6H3
InChI Key:
INDMSPAEFKSOEM-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)C=C(C(=O)C(=Cc1ccc(cc1)N(CC)CC)C(=O)C)C(=O)C)CC
Properties
Complexity:
683
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.273g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.618g/mol
Monoisotopic Mass:
460.273g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.