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Compound FL0028

CAT: 0013-GTR19269683-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269683-01Size:1 mg
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Description
Compound FL0028, with CAS No. 1630906-99-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0028 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
1630906-99-8
Purity
99.94% (May vary between batches)
Smiles
Cl.COC (=O) [C@@H]1[C@@H] (N) C2CCC1CC2
Molecular Formula
C10H18ClNO2
Molecular Weight
219.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl trans-3-aminobicyclo[2.2.2]octane-2-carboxylate hydrochloride
CAS Number1630906-99-8
PubChem CID91663871
IUPAC Namemethyl (2S,3S)-3-aminobicyclo[2.2.2]octane-2-carboxylate;hydrochloride
Molecular FormulaC10H18ClNO2
Molecular Weight219.71
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity209
SMILES
COC(=O)[C@@H]1[C@H](C2CCC1CC2)N.Cl
InChI
InChI=1S/C10H17NO2.ClH/c1-13-10(12)8-6-2-4-7(5-3-6)9(8)11;/h6-9H,2-5,11H2,1H3;1H/t6?,7?,8-,9-;/m0./s1
InChIKey
WMXDQFWQOGJYEQ-DPRHYWCPSA-N
Chemical Structure
2D Structure
2D structure of Methyl trans-3-aminobicyclo[2.2.2]octane-2-carboxylate hydrochloride
CAS: 1630906-99-8
CID: 91663871
Formula: C10H18ClNO2
MW: 219.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.71
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass219.1026065
Monoisotopic Mass219.1026065
Topological Polar Surface Area52.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity209
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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