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(4-Cyclopropyl-2-fluorophenyl) methanamine

CAT: 0926-YZB10666-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-YZB10666-01Size:50 mg
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CAS Number
1248106-66-2
MDL Number
MFCD16778875
Smiles
C1CC1C2=CC (=C (C=C2) CN) F
Molecular Formula
C10H12FN
Molecular Weight
165.21 g/mol
Controlled
No

Chemical Information

(4-Cyclopropyl-2-fluorophenyl)methanamine
CAS Number1248106-66-2
PubChem CID62492224
IUPAC Name(4-cyclopropyl-2-fluorophenyl)methanamine
Molecular FormulaC10H12FN
Molecular Weight165.21
XLogP1.8
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity156
SMILES
C1CC1C2=CC(=C(C=C2)CN)F
InChI
InChI=1S/C10H12FN/c11-10-5-8(7-1-2-7)3-4-9(10)6-12/h3-5,7H,1-2,6,12H2
InChIKey
YQKBCTAWKRVXRV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Cyclopropyl-2-fluorophenyl)methanamine
CAS: 1248106-66-2
CID: 62492224
Formula: C10H12FN
MW: 165.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight165.21
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass165.095377549
Monoisotopic Mass165.095377549
Topological Polar Surface Area26 Ų
Heavy Atom Count12
Formal Charge0
Complexity156
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