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Compound FL0107

CAT: 0931-FL0107-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-FL0107-02Size:25 mg
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CAS Number
171049-41-5
Bioactivity
Compound FL0107, with CAS No. 171049-41-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0107 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)N1CCc2ccc(N)cc2C1
Molecular Formula
C14H20N2O2
Molecular Weight
248.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate
CAS Number171049-41-5
PubChem CID22061016
IUPAC Nametert-butyl 7-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate
Molecular FormulaC14H20N2O2
Molecular Weight248.32
XLogP2
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity311
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)N
InChI
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-7-6-10-4-5-12(15)8-11(10)9-16/h4-5,8H,6-7,9,15H2,1-3H3
InChIKey
AGRBXKCSGCUXST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate
CAS: 171049-41-5
CID: 22061016
Formula: C14H20N2O2
MW: 248.32
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.32
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass248.152477885
Monoisotopic Mass248.152477885
Topological Polar Surface Area55.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity311
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
FL0101-01Compound FL0101
FL0105-01Compound FL0105
FL0170-01Compound FL0170
FL0108-01Compound FL0108
FL0106-01Compound FL0106
FL0197-01Compound FL0197
FL0100-01Compound FL0100
FL0185-01Compound FL0185
FL0158-01Compound FL0158
FL0121-01Compound FL0121

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