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1289387-43-4 | Methanone, (3-methyl-1-piperazinyl)(3-methyl-2-thienyl)-, hydrochloride (1:1)
CAS No: 1289387-43-4 Catalog No: AG000YMF MDL No:MFCD18837315
Product Description
Catalog Number:
AG000YMF
Chemical Name:
Methanone, (3-methyl-1-piperazinyl)(3-methyl-2-thienyl)-, hydrochloride (1:1)
CAS Number:
1289387-43-4
Molecular Formula:
C11H17ClN2OS
Molecular Weight:
260.7835
MDL Number:
MFCD18837315
IUPAC Name:
(3-methylpiperazin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
InChI:
InChI=1S/C11H16N2OS.ClH/c1-8-3-6-15-10(8)11(14)13-5-4-12-9(2)7-13;/h3,6,9,12H,4-5,7H2,1-2H3;1H
InChI Key:
FAXKORNILIQFML-UHFFFAOYSA-N
SMILES:
CC1NCCN(C1)C(=O)c1sccc1C.Cl
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.78g/mol
Monoisotopic Mass:
260.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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