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2-Iodobenzenamine

CAT: 0013-GTR19173425-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19173425-01Size:1 g
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Description
2-Iodobenzenamine is a biochemical research agent, also known as 2-Iodoaniline. This small molecule is utilized in organic synthesis and as a building block for developing compounds used in various in vitro biochemical and pharmacological studies.
CAS Number
615-43-0
Product Name Alternative
NSC 34544, NSC34544, NSC-34544, 2 Iodobenzenamine, 2Iodobenzenamine, 2-Iodobenzenamine
Purity
≥98% (May vary between batches)
Solubility
DMSO:60 mg/mL (273.95 mM)
Smiles
NC1=C (I) C=CC=C1
Molecular Formula
C6H6IN
Molecular Weight
219.02
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Iodoaniline

structure in first source

CAS Number615-43-0
PubChem CID11995
IUPAC Name2-iodoaniline
Molecular FormulaC6H6IN
Molecular Weight219.02
XLogP2.3
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity74
SMILES
C1=CC=C(C(=C1)N)I
InChI
InChI=1S/C6H6IN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
InChIKey
UBPDKIDWEADHPP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Iodoaniline
CAS: 615-43-0
CID: 11995
Formula: C6H6IN
MW: 219.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.02
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass218.95450
Monoisotopic Mass218.95450
Topological Polar Surface Area26 Ų
Heavy Atom Count8
Formal Charge0
Complexity74.9
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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