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Cyclopentyl (3-fluorophenyl) methanamine

CAT: 0926-IXB97995-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-IXB97995-01Size:50 mg
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CAS Number
1183979-95-4
MDL Number
MFCD12153857
Smiles
C1CCC (C1) C (C2=CC (=CC=C2) F) N
Molecular Formula
C12H16FN
Molecular Weight
193.26 g/mol
Controlled
No

Chemical Information

Cyclopentyl(3-fluorophenyl)methanamine
CAS Number1183979-95-4
PubChem CID60818614
IUPAC Namecyclopentyl-(3-fluorophenyl)methanamine
Molecular FormulaC12H16FN
Molecular Weight193.26
XLogP2.7
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity177
SMILES
C1CCC(C1)C(C2=CC(=CC=C2)F)N
InChI
InChI=1S/C12H16FN/c13-11-7-3-6-10(8-11)12(14)9-4-1-2-5-9/h3,6-9,12H,1-2,4-5,14H2
InChIKey
SEVSBNYOVVORBB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclopentyl(3-fluorophenyl)methanamine
CAS: 1183979-95-4
CID: 60818614
Formula: C12H16FN
MW: 193.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.26
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass193.126677677
Monoisotopic Mass193.126677677
Topological Polar Surface Area26 Ų
Heavy Atom Count14
Formal Charge0
Complexity177
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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