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[3- (4-Fluorophenoxy) propyl]amine

CAT: 0024-sc-311955Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-311955Size:500 mg
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CAS Number
116753-54-9

Chemical Information

3-(4-Fluorophenoxy)propan-1-amine
CAS Number116753-54-9
PubChem CID14025825
IUPAC Name3-(4-fluorophenoxy)propan-1-amine
Molecular FormulaC9H12FNO
Molecular Weight169.20
XLogP1.4
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity113
SMILES
C1=CC(=CC=C1OCCCN)F
InChI
InChI=1S/C9H12FNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,6-7,11H2
InChIKey
ZIBPUVKKZJRDHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Fluorophenoxy)propan-1-amine
CAS: 116753-54-9
CID: 14025825
Formula: C9H12FNO
MW: 169.20
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight169.20
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass169.090292168
Monoisotopic Mass169.090292168
Topological Polar Surface Area35.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity113
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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