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1-Nitrosopyrrolidine-d4

CAT: 0572-TRC-N545952-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N545952-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
57371-40-1
Synonyms
Pyrrolidine-2,2,5,5-d4, 1-nitroso- (9CI); 1-Nitrosopyrrolidine-2,2,5,5-d4; N-Nitrosopyrrolidine (2,2,5,5-D4)
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]C1([2H])CCC([2H])([2H])N1N=O
Molecular Formula
C4 2H4 H4 N2 O
Molecular Weight
104.14
InChI
InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2/i3D2,4D2
Additionnal Information
IUPAC name: 2,2,5,5-tetradeuterio-1-nitrosopyrrolidine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N-Nitrosopyrrolidine-d4
CAS Number57371-40-1
PubChem CID71751146
IUPAC Name2,2,5,5-tetradeuterio-1-nitrosopyrrolidine
Molecular FormulaC4H8N2O
Molecular Weight104.14
XLogP-0.2
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity68
SMILES
[2H]C1(CCC(N1N=O)([2H])[2H])[2H]
InChI
InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2/i3D2,4D2
InChIKey
WNYADZVDBIBLJJ-KHORGVISSA-N
Chemical Structure
2D Structure
2D structure of N-Nitrosopyrrolidine-d4
CAS: 57371-40-1
CID: 71751146
Formula: C4H8N2O
MW: 104.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight104.14
XLogP3-0.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass104.088769867
Monoisotopic Mass104.088769867
Topological Polar Surface Area32.7 Ų
Heavy Atom Count7
Formal Charge0
Complexity68.1
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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