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N-Ethylsuccinimide-d5

CAT: 0572-TRC-E925962-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E925962-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1370698-98-8
Synonyms
1-(Ethyl-1,1,2,2,2-d5)-2,5-pyrrolidinedione; NSC 38693-d5
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])C([2H])([2H])N1C(=O)CCC1=O
Molecular Formula
C6H4D5NO2
Molecular Weight
132.17
Shipping Conditions
Room Temperature

Chemical Information

N-Ethylsuccinimide-d5
CAS Number1370698-98-8
PubChem CID169440277
IUPAC Name1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidine-2,5-dione
Molecular FormulaC6H9NO2
Molecular Weight132.17
XLogP-0.5
Topological Polar Surface Area37.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity137
SMILES
[2H]C([2H])([2H])C([2H])([2H])N1C(=O)CCC1=O
InChI
InChI=1S/C6H9NO2/c1-2-7-5(8)3-4-6(7)9/h2-4H2,1H3/i1D3,2D2
InChIKey
GHAZCVNUKKZTLG-ZBJDZAJPSA-N
Chemical Structure
2D Structure
2D structure of N-Ethylsuccinimide-d5
CAS: 1370698-98-8
CID: 169440277
Formula: C6H9NO2
MW: 132.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.17
XLogP3-0.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass132.094712260
Monoisotopic Mass132.094712260
Topological Polar Surface Area37.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity137
Isotope Atom Count5
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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