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30311-37-6 | 2-Propanol, 1-[4-(2-methoxyethoxy)phenoxy]-3-[(1-methylethyl)amino]-
CAS No: 30311-37-6 Catalog No: AG002ZNA MDL No:
Product Description
Catalog Number:
AG002ZNA
Chemical Name:
2-Propanol, 1-[4-(2-methoxyethoxy)phenoxy]-3-[(1-methylethyl)amino]-
CAS Number:
30311-37-6
Molecular Formula:
C15H25NO4
Molecular Weight:
283.3633
IUPAC Name:
1-[4-(2-methoxyethoxy)phenoxy]-3-(propan-2-ylamino)propan-2-ol
InChI:
InChI=1S/C15H25NO4/c1-12(2)16-10-13(17)11-20-15-6-4-14(5-7-15)19-9-8-18-3/h4-7,12-13,16-17H,8-11H2,1-3H3
InChI Key:
FGAPARDHTDKREN-UHFFFAOYSA-N
SMILES:
COCCOc1ccc(cc1)OCC(CNC(C)C)O
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.178g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.368g/mol
Monoisotopic Mass:
283.178g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| LK 204-545, a highly selective beta1-adrenoceptor antagonist at human beta-adrenoceptors. | European journal of pharmacology 19990219 |
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