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Cyclobutyl (4-fluorophenyl) methanamine

CAT: 0926-VLB50163-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-VLB50163-01Size:50 mg
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CAS Number
920501-63-9
MDL Number
MFCD09806866
Smiles
C1CC (C1) C (C2=CC=C (C=C2) F) N
Molecular Formula
C11H14FN
Molecular Weight
179.23 g/mol
Controlled
No

Chemical Information

Cyclobutyl(4-fluorophenyl)methanamine
CAS Number920501-63-9
PubChem CID24689224
IUPAC Namecyclobutyl-(4-fluorophenyl)methanamine
Molecular FormulaC11H14FN
Molecular Weight179.23
XLogP2.2
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity159
SMILES
C1CC(C1)C(C2=CC=C(C=C2)F)N
InChI
InChI=1S/C11H14FN/c12-10-6-4-9(5-7-10)11(13)8-2-1-3-8/h4-8,11H,1-3,13H2
InChIKey
URHZIKVJKQVHEV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclobutyl(4-fluorophenyl)methanamine
CAS: 920501-63-9
CID: 24689224
Formula: C11H14FN
MW: 179.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.23
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass179.111027613
Monoisotopic Mass179.111027613
Topological Polar Surface Area26 Ų
Heavy Atom Count13
Formal Charge0
Complexity159
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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