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82168-26-1 | 2-(1-adamantylamino)ethyl 2-(4-chlorophenoxy)acetate
CAS No: 82168-26-1 Catalog No: AG004W48 MDL No:
Product Description
Catalog Number:
AG004W48
Chemical Name:
2-(1-adamantylamino)ethyl 2-(4-chlorophenoxy)acetate
CAS Number:
82168-26-1
Molecular Formula:
C20H26ClNO3
Molecular Weight:
363.8783
IUPAC Name:
2-(1-adamantylamino)ethyl 2-(4-chlorophenoxy)acetate
InChI:
InChI=1S/C20H26ClNO3/c21-17-1-3-18(4-2-17)25-13-19(23)24-6-5-22-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-4,14-16,22H,5-13H2
InChI Key:
PLSMXIQMWYSHIV-UHFFFAOYSA-N
SMILES:
O=C(COc1ccc(cc1)Cl)OCCNC12CC3CC(C2)CC(C1)C3
UNII:
B8VQU4C05J
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.16g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.882g/mol
Monoisotopic Mass:
363.16g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Modeling mitochondrial dysfunctions in the brain: from mice to men. | Journal of inherited metabolic disease 20120301 |
| Memory effects of the new derivative of the p-chlorophenoxyacetic acid adafenoxate compared to the effects of some cognition-enhancing drugs in rats. | Arzneimittel-Forschung 19890901 |
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