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18965-98-5 | 2-Propanol, 1-([1,1'-biphenyl]-2-yloxy)-3-[(1,1-dimethylethyl)amino]-, hydrochloride (1:1)
CAS No: 18965-98-5 Catalog No: AG002DV5 MDL No:
Product Description
Catalog Number:
AG002DV5
Chemical Name:
2-Propanol, 1-([1,1'-biphenyl]-2-yloxy)-3-[(1,1-dimethylethyl)amino]-, hydrochloride (1:1)
CAS Number:
18965-98-5
Molecular Formula:
C19H26ClNO2
Molecular Weight:
335.8682
IUPAC Name:
1-(tert-butylamino)-3-(2-phenylphenoxy)propan-2-ol;hydrochloride
InChI:
InChI=1S/C19H25NO2.ClH/c1-19(2,3)20-13-16(21)14-22-18-12-8-7-11-17(18)15-9-5-4-6-10-15;/h4-12,16,20-21H,13-14H2,1-3H3;1H
InChI Key:
AHEWKBSXIVYTEN-UHFFFAOYSA-N
SMILES:
OC(COc1ccccc1c1ccccc1)CNC(C)(C)C.Cl
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.165g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
335.872g/mol
Monoisotopic Mass:
335.165g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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