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1864073-89-1 | 4-(2-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]ETHYL)PIPERIDINE HYDROCHLORIDE
CAS No: 1864073-89-1 Catalog No: AG01ATA4 MDL No:MFCD26793307
Product Description
Catalog Number:
AG01ATA4
Chemical Name:
4-(2-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]ETHYL)PIPERIDINE HYDROCHLORIDE
CAS Number:
1864073-89-1
Molecular Formula:
C11H20ClN3S
Molecular Weight:
261.8146
MDL Number:
MFCD26793307
IUPAC Name:
4-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidine;hydrochloride
InChI:
InChI=1S/C11H19N3S.ClH/c1-14-8-7-13-11(14)15-9-4-10-2-5-12-6-3-10;/h7-8,10,12H,2-6,9H2,1H3;1H
InChI Key:
MZGIBHOPWGTAQT-UHFFFAOYSA-N
SMILES:
Cn1ccnc1SCCC1CCNCC1.Cl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.107g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.812g/mol
Monoisotopic Mass:
261.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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