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131964-30-2 | Benzo[b]thiophene-5-methanol, α-[[2-(dimethylamino)ethoxy]methyl]-, hydrochloride (1:1)
CAS No: 131964-30-2 Catalog No: AG000ZZK MDL No:
Product Description
Catalog Number:
AG000ZZK
Chemical Name:
Benzo[b]thiophene-5-methanol, α-[[2-(dimethylamino)ethoxy]methyl]-, hydrochloride (1:1)
CAS Number:
131964-30-2
Molecular Formula:
C14H20ClNO2S
Molecular Weight:
301.8321
IUPAC Name:
1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride
InChI:
InChI=1S/C14H19NO2S.ClH/c1-15(2)6-7-17-10-13(16)11-3-4-14-12(9-11)5-8-18-14;/h3-5,8-9,13,16H,6-7,10H2,1-2H3;1H
InChI Key:
HCLIFWZTTKDJGO-UHFFFAOYSA-N
SMILES:
CN(CCOCC(c1ccc2c(c1)ccs2)O)C.Cl
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.829g/mol
Monoisotopic Mass:
301.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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