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142248-56-4 | Phenol, 2,4-bis[bis[4-(dimethylamino)phenyl]methyl]-3,6-dimethyl-
CAS No: 142248-56-4 Catalog No: AG001I1H MDL No:
Product Description
Catalog Number:
AG001I1H
Chemical Name:
Phenol, 2,4-bis[bis[4-(dimethylamino)phenyl]methyl]-3,6-dimethyl-
CAS Number:
142248-56-4
Molecular Formula:
C42H50N4O
Molecular Weight:
626.8726
IUPAC Name:
2,4-bis[bis[4-(dimethylamino)phenyl]methyl]-3,6-dimethylphenol
InChI:
InChI=1S/C42H50N4O/c1-28-27-38(40(30-11-19-34(20-12-30)43(3)4)31-13-21-35(22-14-31)44(5)6)29(2)39(42(28)47)41(32-15-23-36(24-16-32)45(7)8)33-17-25-37(26-18-33)46(9)10/h11-27,40-41,47H,1-10H3
InChI Key:
XQWKOXJYLWWTNX-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)C(c1cc(C)c(c(c1C)C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C)O)c1ccc(cc1)N(C)C)C
Properties
Complexity:
850
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
626.398g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
626.889g/mol
Monoisotopic Mass:
626.398g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
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