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Sarmentine-d8

CAT: 0572-TRC-S141602-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S141602-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1795136-21-8
Synonyms
(2E,4E)-1-(1-Pyrrolidinyl-d8)-2,4-decadien-1-one; (E,E)-1-(1-Oxo-2,4-decadienyl)pyrrolidine-d8; 1-[(2E,4E)-1-Oxo-2,4-decadienyl]pyrrolidine-d8; 1-[(E,E)-2,4-Decadienoyl]pyrrolidine-d8; 2,4-(E,E)-Decadienoylpyrrolidide-d8; Iyeremide A-d8;
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
[2H]C1([2H])N(C(=O)\C=C\C=C\CCCCC)C([2H])([2H])C([2H])([2H])C1([2H])[2H]
Molecular Formula
C14H15D8NO
Molecular Weight
229.39
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Sarmentine-d8
CAS Number1795136-21-8
PubChem CID71752156
IUPAC Name(2E,4E)-1-(2,2,3,3,4,4,5,5-octadeuteriopyrrolidin-1-yl)deca-2,4-dien-1-one
Molecular FormulaC14H23NO
Molecular Weight229.39
XLogP3.7
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity249
SMILES
[2H]C1(C(C(N(C1([2H])[2H])C(=O)/C=C/C=C/CCCCC)([2H])[2H])([2H])[2H])[2H]
InChI
InChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-11-14(16)15-12-9-10-13-15/h6-8,11H,2-5,9-10,12-13H2,1H3/b7-6+,11-8+/i9D2,10D2,12D2,13D2
InChIKey
BFZBGTMIBOQWBA-YPCBJGQFSA-N
Chemical Structure
2D Structure
2D structure of Sarmentine-d8
CAS: 1795136-21-8
CID: 71752156
Formula: C14H23NO
MW: 229.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.39
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass229.228178325
Monoisotopic Mass229.228178325
Topological Polar Surface Area20.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity249
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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