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Home > Pyridines > 1298086-73-3
1298086-73-3 | 1-Butyl-4-(tetrahydro-pyran-4-yl)-pyridinium chloride
CAS No: 1298086-73-3 Catalog No: AG01ERZR MDL No:MFCD06637443
Product Description
Catalog Number:
AG01ERZR
Chemical Name:
1-Butyl-4-(tetrahydro-pyran-4-yl)-pyridinium chloride
CAS Number:
1298086-73-3
Molecular Formula:
C14H22ClNO
Molecular Weight:
255.7836
MDL Number:
MFCD06637443
IUPAC Name:
1-butyl-4-(oxan-4-yl)pyridin-1-ium;chloride
InChI:
InChI=1S/C14H22NO.ClH/c1-2-3-8-15-9-4-13(5-10-15)14-6-11-16-12-7-14;/h4-5,9-10,14H,2-3,6-8,11-12H2,1H3;1H/q+1;/p-1
InChI Key:
PNMYYPFNIINBQC-UHFFFAOYSA-M
SMILES:
CCCC[n+]1ccc(cc1)C1CCOCC1.[Cl-]
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.139g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.786g/mol
Monoisotopic Mass:
255.139g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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