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131961-23-4 | Benzenemethanol, α-[[2-(dimethylamino)ethoxy]methyl]-4-methyl-, hydrochloride (1:1)
CAS No: 131961-23-4 Catalog No: AG000ZZU MDL No:
Product Description
Catalog Number:
AG000ZZU
Chemical Name:
Benzenemethanol, α-[[2-(dimethylamino)ethoxy]methyl]-4-methyl-, hydrochloride (1:1)
CAS Number:
131961-23-4
Molecular Formula:
C13H22ClNO2
Molecular Weight:
259.7723
IUPAC Name:
2-[2-(dimethylamino)ethoxy]-1-(4-methylphenyl)ethanol;hydrochloride
InChI:
InChI=1S/C13H21NO2.ClH/c1-11-4-6-12(7-5-11)13(15)10-16-9-8-14(2)3;/h4-7,13,15H,8-10H2,1-3H3;1H
InChI Key:
YYKCAYNSUKTXAD-UHFFFAOYSA-N
SMILES:
CN(CCOCC(c1ccc(cc1)C)O)C.Cl
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.134g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.774g/mol
Monoisotopic Mass:
259.134g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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