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Felbamate-d4

CAT: 0572-TRC-F231002-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F231002-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
106817-52-1
Synonyms
Felbamate-d4; Felbamyl-d4; Felbatol-d4; Taloxa-d4; CTK8F9733; ADD-03055-d4; W-554-d4; 2-Phenyl-1,3-propanedioldicarbamate-d4; Carbamic Acid 2-Phenyltrimethylene-d4 Ester
Hazard Statement
May cause allergy or asthma symptoms or breathing difficulties if inhaled
Purity
>95% (HPLC)
Smiles
[2H]C([2H])(OC(=O)N)C(c1ccccc1)C([2H])([2H])OC(=O)N
Molecular Formula
C11 H10 D4 N2 O4
Molecular Weight
242.267
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Felbamate-d4
CAS Number106817-52-1
PubChem CID13620359
IUPAC Name(3-carbamoyloxy-1,1,3,3-tetradeuterio-2-phenylpropyl) carbamate
Molecular FormulaC11H14N2O4
Molecular Weight242.26
XLogP0.6
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count17
Formal Charge0
Complexity246
SMILES
[2H]C([2H])(C(C1=CC=CC=C1)C([2H])([2H])OC(=O)N)OC(=O)N
InChI
InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)/i6D2,7D2
InChIKey
WKGXYQFOCVYPAC-KXGHAPEVSA-N
Chemical Structure
2D Structure
2D structure of Felbamate-d4
CAS: 106817-52-1
CID: 13620359
Formula: C11H14N2O4
MW: 242.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.26
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass242.12046392
Monoisotopic Mass242.12046392
Topological Polar Surface Area105 Ų
Heavy Atom Count17
Formal Charge0
Complexity246
Isotope Atom Count4
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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