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1158268-56-4 | Benzothiazole, 2-(4-piperidinylmethyl)-, hydrochloride (1:1)
CAS No: 1158268-56-4 Catalog No: AG000GXA MDL No:MFCD13875461
Product Description
Catalog Number:
AG000GXA
Chemical Name:
Benzothiazole, 2-(4-piperidinylmethyl)-, hydrochloride (1:1)
CAS Number:
1158268-56-4
Molecular Formula:
C13H17ClN2S
Molecular Weight:
268.8055
MDL Number:
MFCD13875461
IUPAC Name:
2-(piperidin-4-ylmethyl)-1,3-benzothiazole
InChI:
InChI=1S/C13H16N2S/c1-2-4-12-11(3-1)15-13(16-12)9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2
InChI Key:
DCZMOHZDTFYOOY-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)Cc1nc2c(s1)cccc2.Cl
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.345g/mol
Monoisotopic Mass:
232.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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