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24588-94-1

24588-94-1 | 2-Propanol, 1-(dimethylamino)-3-(2-phenoxyphenoxy)-, hydrochloride (1:1)

CAS No: 24588-94-1 Catalog No: AG002ONI MDL No:

Product Description

Catalog Number:
AG002ONI
Chemical Name:
2-Propanol, 1-(dimethylamino)-3-(2-phenoxyphenoxy)-, hydrochloride (1:1)
CAS Number:
24588-94-1
Molecular Formula:
C17H22ClNO3
Molecular Weight:
323.8145
IUPAC Name:
1-(dimethylamino)-3-(2-phenoxyphenoxy)propan-2-ol;hydrochloride
InChI:
InChI=1S/C17H21NO3.ClH/c1-18(2)12-14(19)13-20-16-10-6-7-11-17(16)21-15-8-4-3-5-9-15;/h3-11,14,19H,12-13H2,1-2H3;1H
InChI Key:
GADSMNNHJWZIAA-UHFFFAOYSA-N
SMILES:
CN(CC(COc1ccccc1Oc1ccccc1)O)C.Cl

Properties

Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.129g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
323.817g/mol
Monoisotopic Mass:
323.129g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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