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Compound FL0238

CAT: 0931-FL0238-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-FL0238-02Size:25 mg
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CAS Number
336191-17-4
Bioactivity
Compound FL0238, with CAS No. 336191-17-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0238 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.
Smiles
CC(C)(C)OC(=O)N1CCC2(C1)CCNCC2
Molecular Formula
C13H24N2O2
Molecular Weight
240.347
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CAS Number336191-17-4
PubChem CID34178604
IUPAC Nametert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
Molecular FormulaC13H24N2O2
Molecular Weight240.34
XLogP1.4
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity290
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CCNCC2
InChI
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-6-13(10-15)4-7-14-8-5-13/h14H,4-10H2,1-3H3
InChIKey
NFNCPNAVNRBDOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CAS: 336191-17-4
CID: 34178604
Formula: C13H24N2O2
MW: 240.34
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.34
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass240.183778013
Monoisotopic Mass240.183778013
Topological Polar Surface Area41.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity290
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

CatalogName
FL0218-01Compound FL0218
FL0230-01Compound FL0230
FL0038-01Compound FL0038
FL0298-01Compound FL0298
FL0237-01Compound FL0237
FL0208-01Compound FL0208
FL0158-01Compound FL0158
FL0030-01Compound FL0030
FL0280-01Compound FL0280
FL0290-01Compound FL0290

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