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N-Phenylquinolin-3-amine

CAT: 0926-IEA61827-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-IEA61827-01Size:50 mg
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CAS Number
108618-27-5
MDL Number
MFCD22083802
Smiles
C1=CC=C (C=C1) NC2=CC3=CC=CC=C3N=C2
Molecular Formula
C15H12N2
Molecular Weight
220.27 g/mol
Controlled
No

Chemical Information

N-phenylquinolin-3-amine
CAS Number108618-27-5
PubChem CID11117560
IUPAC NameN-phenylquinolin-3-amine
Molecular FormulaC15H12N2
Molecular Weight220.27
XLogP4.1
Topological Polar Surface Area24.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity235
SMILES
C1=CC=C(C=C1)NC2=CC3=CC=CC=C3N=C2
InChI
InChI=1S/C15H12N2/c1-2-7-13(8-3-1)17-14-10-12-6-4-5-9-15(12)16-11-14/h1-11,17H
InChIKey
RJAKKBANTMOIKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-phenylquinolin-3-amine
CAS: 108618-27-5
CID: 11117560
Formula: C15H12N2
MW: 220.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight220.27
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass220.100048391
Monoisotopic Mass220.100048391
Topological Polar Surface Area24.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity235
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes