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102008-00-4 | Phenol, 2,2'-methylenebis[4-chloro-6-[(dimethylamino)methyl]-
CAS No: 102008-00-4 Catalog No: AG0006BJ MDL No:
Product Description
Catalog Number:
AG0006BJ
Chemical Name:
Phenol, 2,2'-methylenebis[4-chloro-6-[(dimethylamino)methyl]-
CAS Number:
102008-00-4
Molecular Formula:
C19H24Cl2N2O2
Molecular Weight:
383.3121
IUPAC Name:
4-chloro-2-[[5-chloro-3-[(dimethylamino)methyl]-2-hydroxyphenyl]methyl]-6-[(dimethylamino)methyl]phenol
InChI:
InChI=1S/C19H24Cl2N2O2/c1-22(2)10-14-8-16(20)6-12(18(14)24)5-13-7-17(21)9-15(19(13)25)11-23(3)4/h6-9,24-25H,5,10-11H2,1-4H3
InChI Key:
REEOIFCSJWJBJO-UHFFFAOYSA-N
SMILES:
CN(Cc1cc(Cl)cc(c1O)Cc1cc(Cl)cc(c1O)CN(C)C)C
NSC Number:
142019
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.121g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
383.313g/mol
Monoisotopic Mass:
382.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Novel openers of Ca2+-dependent large-conductance potassium channels: symmetrical pharmacophore and electrophysiological evaluation of bisphenols. | Bioorganic & medicinal chemistry letters 20030417 |
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