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116538-03-5 | Benzenamine, 4,4'-(1,3-isobenzofurandiyl)bis[N,N-diethyl-
CAS No: 116538-03-5 Catalog No: AG000CQ9 MDL No:
Product Description
Catalog Number:
AG000CQ9
Chemical Name:
Benzenamine, 4,4'-(1,3-isobenzofurandiyl)bis[N,N-diethyl-
CAS Number:
116538-03-5
Molecular Formula:
C28H32N2O
Molecular Weight:
412.5665
IUPAC Name:
4-[3-[4-(diethylamino)phenyl]-2-benzofuran-1-yl]-N,N-diethylaniline
InChI:
InChI=1S/C28H32N2O/c1-5-29(6-2)23-17-13-21(14-18-23)27-25-11-9-10-12-26(25)28(31-27)22-15-19-24(20-16-22)30(7-3)8-4/h9-20H,5-8H2,1-4H3
InChI Key:
JNBIUEGLGPRFTE-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)c1oc(c2c1cccc2)c1ccc(cc1)N(CC)CC)CC
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.251g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.577g/mol
Monoisotopic Mass:
412.251g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
19.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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