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84541-74-2 | Phenol, 4-(2-(((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)amino)ethoxy)-2-methyl-5-(1-methylethyl)-, hydrochloride
CAS No: 84541-74-2 Catalog No: AG004VHE MDL No:
Product Description
Catalog Number:
AG004VHE
Chemical Name:
Phenol, 4-(2-(((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)amino)ethoxy)-2-methyl-5-(1-methylethyl)-, hydrochloride
CAS Number:
84541-74-2
Molecular Formula:
C21H28ClNO4
Molecular Weight:
393.9043
IUPAC Name:
4-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol;hydrochloride
InChI:
InChI=1S/C21H27NO4.ClH/c1-14(2)17-11-18(23)15(3)10-21(17)24-9-8-22-12-16-13-25-19-6-4-5-7-20(19)26-16;/h4-7,10-11,14,16,22-23H,8-9,12-13H2,1-3H3;1H
InChI Key:
WHSRYUNMKZXAMG-UHFFFAOYSA-N
SMILES:
CC(c1cc(O)c(cc1OCCNCC1COc2c(O1)cccc2)C)C.Cl
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.171g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
393.908g/mol
Monoisotopic Mass:
393.171g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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