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N-Nitrosopiperidine-d4

CAT: 0572-TRC-N545373-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N545373-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
99389-11-4
Synonyms
1-Nitrosopiperidine-d4; NPI-d4; NPIP-d4; NSC 138-d4
Hazard Statement
Toxic if swallowed; UN number: UN2810; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]C1([2H])CCCC([2H])([2H])N1N=O
Molecular Formula
C5 2H4 H6 N2 O
Molecular Weight
118.17
InChI
InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2/i4D2,5D2
Additionnal Information
IUPAC name: 2,2,6,6-tetradeuterio-1-nitrosopiperidine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-Nitrosopiperidine-d4

See also: 1-Nitrosopiperidine-d4 (annotation moved to).

CAS Number99389-11-4
PubChem CID71751144
IUPAC Name2,2,6,6-tetradeuterio-1-nitrosopiperidine
Molecular FormulaC5H10N2O
Molecular Weight118.17
XLogP0.4
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity78
SMILES
[2H]C1(CCCC(N1N=O)([2H])[2H])[2H]
InChI
InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2/i4D2,5D2
InChIKey
UWSDONTXWQOZFN-CQOLUAMGSA-N
Chemical Structure
2D Structure
2D structure of N-Nitrosopiperidine-d4
CAS: 99389-11-4
CID: 71751144
Formula: C5H10N2O
MW: 118.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight118.17
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass118.104419931
Monoisotopic Mass118.104419931
Topological Polar Surface Area32.7 Ų
Heavy Atom Count8
Formal Charge0
Complexity78.5
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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