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Desalkyl Ebastine

CAT: 0572-TRC-D288770-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D288770-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
58258-01-8
Synonyms
4-(Diphenylmethoxy)piperidine; 4-(4-Benzhydryloxy)piperidine; 4-(Benzhydryloxy)piperidine; 4-(Diphenylmethoxy)piperidine; Ebastine Imp. C (EP)
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
C1CC(CCN1)OC(c2ccccc2)c3ccccc3
Molecular Formula
C18 H21 N O
Molecular Weight
267.37
InChI
InChI=1S/C18H21NO/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)20-17-11-13-19-14-12-17/h1-10,17-19H,11-14H2
Additionnal Information
IUPAC name: 4-benzhydryloxypiperidine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Benzhydryloxypiperidine
CAS Number58258-01-8
PubChem CID3017584
IUPAC Name4-benzhydryloxypiperidine
Molecular FormulaC18H21NO
Molecular Weight267.4
XLogP3.4
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity245
SMILES
C1CNCCC1OC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H21NO/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)20-17-11-13-19-14-12-17/h1-10,17-19H,11-14H2
InChIKey
OQAOREVBRZVXDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Benzhydryloxypiperidine
CAS: 58258-01-8
CID: 3017584
Formula: C18H21NO
MW: 267.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass267.162314293
Monoisotopic Mass267.162314293
Topological Polar Surface Area21.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity245
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

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