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3-Iodoquinolin-4-amine

CAT: 0926-KEC05884-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-KEC05884-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1360058-84-9
MDL Number
MFCD24368382
Smiles
C1=CC=C2C (=C1) C (=C (C=N2) I) N
Molecular Formula
C9H7IN2
Molecular Weight
270.07 g/mol
Controlled
No

Chemical Information

3-Iodoquinolin-4-amine
CAS Number1360058-84-9
PubChem CID119085142
IUPAC Name3-iodoquinolin-4-amine
Molecular FormulaC9H7IN2
Molecular Weight270.07
XLogP2.2
Topological Polar Surface Area38.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity163
SMILES
C1=CC=C2C(=C1)C(=C(C=N2)I)N
InChI
InChI=1S/C9H7IN2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H,(H2,11,12)
InChIKey
OFZLIRIPMPOTBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Iodoquinolin-4-amine
CAS: 1360058-84-9
CID: 119085142
Formula: C9H7IN2
MW: 270.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.07
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass269.96540
Monoisotopic Mass269.96540
Topological Polar Surface Area38.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity163
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

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CatalogName
OR813196-Iodoquinolin-4-amine
OR303092-013-Iodoquinolin-8-amine
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