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N-Nitrosodipropylamine-d14

CAT: 0572-TRC-N525482-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N525482-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
93951-96-3
Synonyms
1-Propan-1,1,2,2,3,3,3-d7-amine, N-nitroso-N-(propyl-d7)- (9CI); N-Nitroso-di-n-propylamine D14; N-Nitrosodi-N-propylamine-d14
Hazard Statement
Harmful if swallowed; UN number: UN3082; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N(N=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Molecular Formula
C6 2H14 N2 O
Molecular Weight
144.27
InChI
InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2
Additionnal Information
IUPAC name: N,N-bis(1,1,2,2,3,3,3-heptadeuteriopropyl)nitrous amide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-Nitrosodipropylamine-d14
CAS Number93951-96-3
PubChem CID45052204
IUPAC NameN,N-bis(1,1,2,2,3,3,3-heptadeuteriopropyl)nitrous amide
Molecular FormulaC6H14N2O
Molecular Weight144.27
XLogP1.4
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity69
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])N=O
InChI
InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2
InChIKey
YLKFDHTUAUWZPQ-ZLKPZJALSA-N
Chemical Structure
2D Structure
2D structure of N-Nitrosodipropylamine-d14
CAS: 93951-96-3
CID: 45052204
Formula: C6H14N2O
MW: 144.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.27
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass144.198487518
Monoisotopic Mass144.198487518
Topological Polar Surface Area32.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity69.5
Isotope Atom Count14
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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