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4-Chloro-3-quinolinamine

CAT: 0127-OR50943-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR50943-01Size:250 mg
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CAS Number
58401-43-7
MDL Number
MFCD00234511
Purity
98%
Smiles
Nc1cnc2ccccc2c1Cl
Storage Conditions
Store at 2-8°C

Chemical Information

4-Chloroquinolin-3-amine
CAS Number58401-43-7
PubChem CID817332
IUPAC Name4-chloroquinolin-3-amine
Molecular FormulaC9H7ClN2
Molecular Weight178.62
XLogP2.1
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)N)Cl
InChI
InChI=1S/C9H7ClN2/c10-9-6-3-1-2-4-8(6)12-5-7(9)11/h1-5H,11H2
InChIKey
FWICNGJRPKVYQV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloroquinolin-3-amine
CAS: 58401-43-7
CID: 817332
Formula: C9H7ClN2
MW: 178.62
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.62
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass178.0297759
Monoisotopic Mass178.0297759
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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