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101246-80-4 | Methanone, bis[3,5-bis(diethylamino)phenyl]-
CAS No: 101246-80-4 Catalog No: AG00041R MDL No:
Product Description
Catalog Number:
AG00041R
Chemical Name:
Methanone, bis[3,5-bis(diethylamino)phenyl]-
CAS Number:
101246-80-4
Molecular Formula:
C29H46N4O
Molecular Weight:
466.7017
IUPAC Name:
bis[3,5-bis(diethylamino)phenyl]methanone
InChI:
InChI=1S/C29H46N4O/c1-9-30(10-2)25-17-23(18-26(21-25)31(11-3)12-4)29(34)24-19-27(32(13-5)14-6)22-28(20-24)33(15-7)16-8/h17-22H,9-16H2,1-8H3
InChI Key:
BRIADNNWMLWWQA-UHFFFAOYSA-N
SMILES:
CCN(c1cc(cc(c1)N(CC)CC)C(=O)c1cc(cc(c1)N(CC)CC)N(CC)CC)CC
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.367g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
466.714g/mol
Monoisotopic Mass:
466.367g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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