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89316-65-4 | Quinolinium, 1,2,3,4-tetrahydro-1-(3-hydroxypropyl)-1-methyl-, iodide
CAS No: 89316-65-4 Catalog No: AG003YIN MDL No:
Product Description
Catalog Number:
AG003YIN
Chemical Name:
Quinolinium, 1,2,3,4-tetrahydro-1-(3-hydroxypropyl)-1-methyl-, iodide
CAS Number:
89316-65-4
Molecular Formula:
C13H20INO
Molecular Weight:
333.2085
IUPAC Name:
3-(1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)propan-1-ol;iodide
InChI:
InChI=1S/C13H20NO.HI/c1-14(10-5-11-15)9-4-7-12-6-2-3-8-13(12)14;/h2-3,6,8,15H,4-5,7,9-11H2,1H3;1H/q+1;/p-1
InChI Key:
XACZCGQRBGPDNO-UHFFFAOYSA-M
SMILES:
OCCC[N+]1(C)CCCc2c1cccc2.[I-]
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.213g/mol
Monoisotopic Mass:
333.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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