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AF 14

CAT: 0013-GTR19195888-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195888-01Size:25 mg
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Description
AF 14
CAS Number
60375-43-1
Smiles
O=C1CC2C (N3CCC2CC3) CC1C=4C=CC=CC4
Molecular Formula
C17H21NO
Molecular Weight
255.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AF 14

structure given in first source

CAS Number60375-43-1
PubChem CID194105
IUPAC Name4-phenyl-1-azatricyclo[6.2.2.02,7]dodecan-5-one
Molecular FormulaC17H21NO
Molecular Weight255.35
XLogP2.6
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity352
SMILES
C1CN2CCC1C3C2CC(C(=O)C3)C4=CC=CC=C4
InChI
InChI=1S/C17H21NO/c19-17-11-14-13-6-8-18(9-7-13)16(14)10-15(17)12-4-2-1-3-5-12/h1-5,13-16H,6-11H2
InChIKey
FLBXKBCYSKRFEN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AF 14
CAS: 60375-43-1
CID: 194105
Formula: C17H21NO
MW: 255.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight255.35
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass255.162314293
Monoisotopic Mass255.162314293
Topological Polar Surface Area20.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity352
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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