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1677681-05-8 | Piperazine, 1-benzo[b]thien-4-yl-, hydrochloride (1:2)
CAS No: 1677681-05-8 Catalog No: AG001XKK MDL No:
Product Description
Catalog Number:
AG001XKK
Chemical Name:
Piperazine, 1-benzo[b]thien-4-yl-, hydrochloride (1:2)
CAS Number:
1677681-05-8
Molecular Formula:
C12H16Cl2N2S
Molecular Weight:
291.2398
IUPAC Name:
1-(1-benzothiophen-4-yl)piperazine;dihydrochloride
InChI:
InChI=1S/C12H14N2S.2ClH/c1-2-11(14-7-5-13-6-8-14)10-4-9-15-12(10)3-1;;/h1-4,9,13H,5-8H2;2*1H
InChI Key:
UNMUGUDMFAWBOP-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1cccc2c1ccs2.Cl.Cl
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.041g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
291.234g/mol
Monoisotopic Mass:
290.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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