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1236861-65-6 | Quinoline, 2-(3-azetidinyl)-
CAS No: 1236861-65-6 Catalog No: AG000KY0 MDL No:
Product Description
Catalog Number:
AG000KY0
Chemical Name:
Quinoline, 2-(3-azetidinyl)-
CAS Number:
1236861-65-6
Molecular Formula:
C12H12N2
Molecular Weight:
184.2371
IUPAC Name:
2-(azetidin-3-yl)quinoline;dihydrochloride
InChI:
InChI=1S/C12H12N2.2ClH/c1-2-4-11-9(3-1)5-6-12(14-11)10-7-13-8-10;;/h1-6,10,13H,7-8H2;2*1H
InChI Key:
KTRJVZSWODVJDK-UHFFFAOYSA-N
SMILES:
N1CC(C1)c1ccc2c(n1)cccc2
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
257.158g/mol
Monoisotopic Mass:
256.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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