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Compound FL0163

CAT: 0013-GTR19269729-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269729-02Size:5 mg
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Description
Compound FL0163, with CAS No. 219975-84-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0163 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
219975-84-5
Purity
98.62% (May vary between batches)
Smiles
CC (C) (C) OC (=O) N1CC[C@@H] (CN) [C@H] (O) C1
Molecular Formula
C11H22N2O3
Molecular Weight
230.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

trans-1-Boc-4-aminomethyl-3-hydroxypiperidine
CAS Number219975-84-5
PubChem CID11075229
IUPAC Nametert-butyl (3S,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate
Molecular FormulaC11H22N2O3
Molecular Weight230.30
XLogP0.5
Topological Polar Surface Area75.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity250
SMILES
CC(C)(C)OC(=O)N1CC[C@H]([C@@H](C1)O)CN
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-5-4-8(6-12)9(14)7-13/h8-9,14H,4-7,12H2,1-3H3/t8-,9+/m0/s1
InChIKey
GAGALXYDHSHHCD-DTWKUNHWSA-N
Chemical Structure
2D Structure
2D structure of trans-1-Boc-4-aminomethyl-3-hydroxypiperidine
CAS: 219975-84-5
CID: 11075229
Formula: C11H22N2O3
MW: 230.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.30
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass230.16304257
Monoisotopic Mass230.16304257
Topological Polar Surface Area75.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity250
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19269730-01Compound FL0164
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GTR19269732-01Compound FL0168
GTR19269720-01Compound FL0133
GTR19269731-01Compound FL0167 (SC)

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