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2- (4-Fluorophenyl) ethylamine hydroiodide

CAT: 0926-NGC26955-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-NGC26955-01Size:1 g
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CAS Number
1413269-55-2
MDL Number
MFCD32062906
Smiles
C1=CC (=CC=C1CCN) F.I
Molecular Formula
C8H11FIN
Molecular Weight
267.08 g/mol
Controlled
Yes

Chemical Information

2-(4-Fluorophenyl)ethylamine Hydroiodide
CAS Number1413269-55-2
PubChem CID146680211
IUPAC Name2-(4-fluorophenyl)ethanamine;hydroiodide
Molecular FormulaC8H11FIN
Molecular Weight267.08
Topological Polar Surface Area26
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity87
SMILES
C1=CC(=CC=C1CCN)F.I
InChI
InChI=1S/C8H10FN.HI/c9-8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H
InChIKey
NOHLSFNWSBZSBW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Fluorophenyl)ethylamine Hydroiodide
CAS: 1413269-55-2
CID: 146680211
Formula: C8H11FIN
MW: 267.08
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight267.08
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass266.99203
Monoisotopic Mass266.99203
Topological Polar Surface Area26 Ų
Heavy Atom Count11
Formal Charge0
Complexity87.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes