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Compound FL0071

CAT: 0013-GTR19269699-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269699-01Size:1 mg
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Description
Compound FL0071, with CAS No. 204991-14-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0071 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
204991-14-0
Purity
99.73% (May vary between batches)
Smiles
CC (C) (C) OC (=O) NC12CC1CNC2
Molecular Formula
C10H18N2O2
Molecular Weight
198.266
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Carbamic acid, 3-azabicyclo[3.1.0]hex-1-YL-, 1,1-dimethylethyl ester
CAS Number204991-14-0
PubChem CID21256582
IUPAC Nametert-butyl N-(3-azabicyclo[3.1.0]hexan-1-yl)carbamate
Molecular FormulaC10H18N2O2
Molecular Weight198.26
XLogP0.5
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity259
SMILES
CC(C)(C)OC(=O)NC12CC1CNC2
InChI
InChI=1S/C10H18N2O2/c1-9(2,3)14-8(13)12-10-4-7(10)5-11-6-10/h7,11H,4-6H2,1-3H3,(H,12,13)
InChIKey
IJHTZGBRXSYOMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Carbamic acid, 3-azabicyclo[3.1.0]hex-1-YL-, 1,1-dimethylethyl ester
CAS: 204991-14-0
CID: 21256582
Formula: C10H18N2O2
MW: 198.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.26
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass198.136827821
Monoisotopic Mass198.136827821
Topological Polar Surface Area50.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity259
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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