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131961-71-2 | [1,1'-Biphenyl]-4-methanol, α-[[2-(dimethylamino)ethoxy]methyl]-2'-methyl-, hydrochloride (1:1)
CAS No: 131961-71-2 Catalog No: AG000ZZQ MDL No:
Product Description
Catalog Number:
AG000ZZQ
Chemical Name:
[1,1'-Biphenyl]-4-methanol, α-[[2-(dimethylamino)ethoxy]methyl]-2'-methyl-, hydrochloride (1:1)
CAS Number:
131961-71-2
Molecular Formula:
C19H26ClNO2
Molecular Weight:
335.8682
IUPAC Name:
2-[2-(dimethylamino)ethoxy]-1-[4-(2-methylphenyl)phenyl]ethanol;hydrochloride
InChI:
InChI=1S/C19H25NO2.ClH/c1-15-6-4-5-7-18(15)16-8-10-17(11-9-16)19(21)14-22-13-12-20(2)3;/h4-11,19,21H,12-14H2,1-3H3;1H
InChI Key:
OJUSAQQWKQJKNO-UHFFFAOYSA-N
SMILES:
CN(CCOCC(c1ccc(cc1)c1ccccc1C)O)C.Cl
Properties
Complexity:
300
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:
2
Isotope Atom Count:
0
Molecular Weight:
335.872g/mol
Monoisotopic Mass:
335.165g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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