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131964-52-8 | Benzo[b]thiophene-5-methanol, α-[[4-(dimethylamino)butoxy]methyl]-, hydrochloride (1:1)
CAS No: 131964-52-8 Catalog No: AG000ZZH MDL No:
Product Description
Catalog Number:
AG000ZZH
Chemical Name:
Benzo[b]thiophene-5-methanol, α-[[4-(dimethylamino)butoxy]methyl]-, hydrochloride (1:1)
CAS Number:
131964-52-8
Molecular Formula:
C16H24ClNO2S
Molecular Weight:
329.8853
IUPAC Name:
1-(1-benzothiophen-5-yl)-2-[4-(dimethylamino)butoxy]ethanol;hydrochloride
InChI:
InChI=1S/C16H23NO2S.ClH/c1-17(2)8-3-4-9-19-12-15(18)13-5-6-16-14(11-13)7-10-20-16;/h5-7,10-11,15,18H,3-4,8-9,12H2,1-2H3;1H
InChI Key:
UFBGTYARJXZHJJ-UHFFFAOYSA-N
SMILES:
CN(CCCCOCC(c1ccc2c(c1)ccs2)O)C.Cl
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.883g/mol
Monoisotopic Mass:
329.122g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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