3-Acetylaminoquinoline 5417-50-5 98%
【Name】
N-3-quinolylacetamide
【Iupac name】
N-quinolin-3-ylacetamide
【CAS Registry number】
5417-50-5
【Synonyms】
3-acetamidoquinoline
N-(quinolin-3-yl)acetamide
【Molecular Formula】
C11H10N2O (Products with the same molecular formula)
【Molecular Weight】
186.2099
【Inchi】
InChI=1/C11H10N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-7H,1H3,(H,13,14)
【Canonical SMILES】
CC(=O)NC1=CC2=CC=CC=C2N=C1
【MOL File】
5417-50-5.mol
Chemical and Physical Properties
【Density】
1.242g/cm3
【Boiling Point】
416.5°C at 760 mmHg
【Refractive Index】
1.677
【Flash Point】
205.7°C
【Computed Properties】
Molecular Weight:186.2099 [g/mol]
Molecular Formula:C11H10N2O
XLogP3:1.9
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:3
Exact Mass:186.079313
MonoIsotopic Mass:186.079313
Topological Polar Surface Area:42
Heavy Atom Count:14
Formal Charge:0
Complexity:217
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:4
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