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Compound FL0120

CAT: 0013-GTR19269711-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269711-01Size:1 mg
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Description
Compound FL0120, with CAS No. 22246-76-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0120 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
22246-76-0
Smiles
NC1=CC=C2CCCC (=O) NC2=C1
Molecular Formula
C10H12N2O
Molecular Weight
176.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

8-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
CAS Number22246-76-0
PubChem CID4615168
IUPAC Name8-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
Molecular FormulaC10H12N2O
Molecular Weight176.21
XLogP0.7
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity205
SMILES
C1CC2=C(C=C(C=C2)N)NC(=O)C1
InChI
InChI=1S/C10H12N2O/c11-8-5-4-7-2-1-3-10(13)12-9(7)6-8/h4-6H,1-3,11H2,(H,12,13)
InChIKey
XRJMPABWIZHNQA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
CAS: 22246-76-0
CID: 4615168
Formula: C10H12N2O
MW: 176.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.21
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass176.094963011
Monoisotopic Mass176.094963011
Topological Polar Surface Area55.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity205
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

Related Products

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